4-(N-ethyl-4-fluoroanilino)-N,N-dimethylbenzamide;1-fluoro-3-[1-(3-fluorophenyl)ethyl]benzene;3-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide;[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone;1-[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-3-methylbutan-1-one

C98H104F7N5O10S3 — CID 159195978

IUPAC4-(N-ethyl-4-fluoroanilino)-N,N-dimethylbenzamide;1-fluoro-3-[1-(3-fluorophenyl)ethyl]benzene;3-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide;[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone;1-[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-3-methylbutan-1-one
SMILESCC(c1cccc(F)c1)c1cccc(F)c1.CCN(c1ccc(F)cc1)c1ccc(C(=O)N(C)C)cc1.COC(c1ccc(F)cc1)c1cccc(C(=O)N(C)C)c1.COCc1cc(C(=O)CC(C)C)sc1-c1ccc(F)cc1.COCc1cc(C(=O)N(C)C)sc1-c1ccc(F)cc1.COCc1cc(C(=O)N2CCC(O)CC2)sc1-c1ccc(F)cc1
InChIInChI=1S/C18H20FNO3S.C17H19FN2O.C17H18FNO2.C17H19FO2S.C15H16FNO2S.C14H12F2/c1-23-11-13-10-16(18(22)20-8-6-15(21)7-9-20)24-17(13)12-2-4-14(19)5-3-12;1-4-20(16-11-7-14(18)8-12-16)15-9-5-13(6-10-15)17(21)19(2)3;1-19(2)17(20)14-6-4-5-13(11-14)16(21-3)12-7-9-15(18)10-8-12;1-11(2)8-15(19)16-9-13(10-20-3)17(21-16)12-4-6-14(18)7-5-12;1-17(2)15(18)13-8-11(9-19-3)14(20-13)10-4-6-12(16)7-5-10;1-10(11-4-2-6-13(15)8-11)12-5-3-7-14(16)9-12/h2-5,10,15,21H,6-9,11H2,1H3;5-12H,4H2,1-3H3;4-11,16H,1-3H3;4-7,9,11H,8,10H2,1-3H3;4-8H,9H2,1-3H3;2-10H,1H3
InChIKeyKOQZOTZQSACKRN-UHFFFAOYSA-N
MW1741.12 g/mol
LogP22.69
Rot. Bonds24

About 4-(N-ethyl-4-fluoroanilino)-N,N-dimethylbenzamide;1-fluoro-3-[1-(3-fluorophenyl)ethyl]benzene;3-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide;[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone;1-[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-3-methylbutan-1-one

4-(N-ethyl-4-fluoroanilino)-N,N-dimethylbenzamide;1-fluoro-3-[1-(3-fluorophenyl)ethyl]benzene;3-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide;[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone;1-[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-3-methylbutan-1-one (PubChem CID 159195978) has the molecular formula C98H104F7N5O10S3 and a molecular weight of 1741.12 g/mol. Its IUPAC name is 4-(N-ethyl-4-fluoroanilino)-N,N-dimethylbenzamide;1-fluoro-3-[1-(3-fluorophenyl)ethyl]benzene;3-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide;[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone;1-[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name4-(N-ethyl-4-fluoroanilino)-N,N-dimethylbenzamide;1-fluoro-3-[1-(3-fluorophenyl)ethyl]benzene;3-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide;[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone;1-[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-3-methylbutan-1-one
PubChem CID159195978
Molecular FormulaC98H104F7N5O10S3
Molecular Weight1741.12 g/mol
Exact Mass1739.68
IUPAC Name4-(N-ethyl-4-fluoroanilino)-N,N-dimethylbenzamide;1-fluoro-3-[1-(3-fluorophenyl)ethyl]benzene;3-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide;[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone;1-[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-3-methylbutan-1-one
SMILESCC(c1cccc(F)c1)c1cccc(F)c1.CCN(c1ccc(F)cc1)c1ccc(C(=O)N(C)C)cc1.COC(c1ccc(F)cc1)c1cccc(C(=O)N(C)C)c1.COCc1cc(C(=O)CC(C)C)sc1-c1ccc(F)cc1.COCc1cc(C(=O)N(C)C)sc1-c1ccc(F)cc1.COCc1cc(C(=O)N2CCC(O)CC2)sc1-c1ccc(F)cc1
InChIInChI=1S/C18H20FNO3S.C17H19FN2O.C17H18FNO2.C17H19FO2S.C15H16FNO2S.C14H12F2/c1-23-11-13-10-16(18(22)20-8-6-15(21)7-9-20)24-17(13)12-2-4-14(19)5-3-12;1-4-20(16-11-7-14(18)8-12-16)15-9-5-13(6-10-15)17(21)19(2)3;1-19(2)17(20)14-6-4-5-13(11-14)16(21-3)12-7-9-15(18)10-8-12;1-11(2)8-15(19)16-9-13(10-20-3)17(21-16)12-4-6-14(18)7-5-12;1-17(2)15(18)13-8-11(9-19-3)14(20-13)10-4-6-12(16)7-5-10;1-10(11-4-2-6-13(15)8-11)12-5-3-7-14(16)9-12/h2-5,10,15,21H,6-9,11H2,1H3;5-12H,4H2,1-3H3;4-11,16H,1-3H3;4-7,9,11H,8,10H2,1-3H3;4-8H,9H2,1-3H3;2-10H,1H3
InChIKeyKOQZOTZQSACKRN-UHFFFAOYSA-N
XLogP22.69
TPSA158.70 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001741.12
LogP ≤ 522.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 4-(N-ethyl-4-fluoroanilino)-N,N-dimethylbenzamide;1-fluoro-3-[1-(3-fluorophenyl)ethyl]benzene;3-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide;[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone;1-[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-3-methylbutan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-4-fluoroanilino)-N,N-dimethylbenzamide;1-fluoro-3-[1-(3-fluorophenyl)ethyl]benzene;3-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide;[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone;1-[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-3-methylbutan-1-one?
The IUPAC name of 4-(N-ethyl-4-fluoroanilino)-N,N-dimethylbenzamide;1-fluoro-3-[1-(3-fluorophenyl)ethyl]benzene;3-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide;[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone;1-[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-3-methylbutan-1-one (CID 159195978) is 4-(N-ethyl-4-fluoroanilino)-N,N-dimethylbenzamide;1-fluoro-3-[1-(3-fluorophenyl)ethyl]benzene;3-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide;[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone;1-[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-3-methylbutan-1-one.
What is the SMILES notation for 4-(N-ethyl-4-fluoroanilino)-N,N-dimethylbenzamide;1-fluoro-3-[1-(3-fluorophenyl)ethyl]benzene;3-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide;[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone;1-[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-3-methylbutan-1-one?
The canonical SMILES for 4-(N-ethyl-4-fluoroanilino)-N,N-dimethylbenzamide;1-fluoro-3-[1-(3-fluorophenyl)ethyl]benzene;3-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide;[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone;1-[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-3-methylbutan-1-one is CC(c1cccc(F)c1)c1cccc(F)c1.CCN(c1ccc(F)cc1)c1ccc(C(=O)N(C)C)cc1.COC(c1ccc(F)cc1)c1cccc(C(=O)N(C)C)c1.COCc1cc(C(=O)CC(C)C)sc1-c1ccc(F)cc1.COCc1cc(C(=O)N(C)C)sc1-c1ccc(F)cc1.COCc1cc(C(=O)N2CCC(O)CC2)sc1-c1ccc(F)cc1.
What is the InChIKey of 4-(N-ethyl-4-fluoroanilino)-N,N-dimethylbenzamide;1-fluoro-3-[1-(3-fluorophenyl)ethyl]benzene;3-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide;[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone;1-[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-3-methylbutan-1-one?
The InChIKey is KOQZOTZQSACKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S.C17H19FN2O.C17H18FNO2.C17H19FO2S.C15H16FNO2S.C14H12F2/c1-23-11-13-10-16(18(22)20-8-6-15(21)7-9-20)24-17(13)12-2-4-14(19)5-3-12;1-4-20(16-11-7-14(18)8-12-16)15-9-5-13(6-10-15)17(21)19(2)3;1-19(2)17(20)14-6-4-5-13(11-14)16(21-3)12-7-9-15(18)10-8-12;1-11(2)8-15(19)16-9-13(10-20-3)17(21-16)12-4-6-14(18)7-5-12;1-17(2)15(18)13-8-11(9-19-3)14(20-13)10-4-6-12(16)7-5-10;1-10(11-4-2-6-13(15)8-11)12-5-3-7-14(16)9-12/h2-5,10,15,21H,6-9,11H2,1H3;5-12H,4H2,1-3H3;4-11,16H,1-3H3;4-7,9,11H,8,10H2,1-3H3;4-8H,9H2,1-3H3;2-10H,1H3.
What are the key properties of 4-(N-ethyl-4-fluoroanilino)-N,N-dimethylbenzamide;1-fluoro-3-[1-(3-fluorophenyl)ethyl]benzene;3-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide;[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone;1-[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-3-methylbutan-1-one?
4-(N-ethyl-4-fluoroanilino)-N,N-dimethylbenzamide;1-fluoro-3-[1-(3-fluorophenyl)ethyl]benzene;3-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide;[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone;1-[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-3-methylbutan-1-one has a molecular weight of 1741.12 g/mol, XLogP of 22.69, 24 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethyl-4-fluoroanilino)-N,N-dimethylbenzamide;1-fluoro-3-[1-(3-fluorophenyl)ethyl]benzene;3-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide;5-(4-fluorophenyl)-4-(methoxymethyl)-N,N-dimethylthiophene-2-carboxamide;[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone;1-[5-(4-fluorophenyl)-4-(methoxymethyl)thiophen-2-yl]-3-methylbutan-1-one is sourced from PubChem (CID 159195978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).