2,3-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide

C16H13Cl2FN2O2 — CID 18112706

IUPAC2,3-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H13Cl2FN2O2/c1-21(16(23)12-3-2-4-13(17)15(12)18)9-14(22)20-11-7-5-10(19)6-8-11/h2-8H,9H2,1H3,(H,20,22)
InChIKeyGTEYJYYRUKKSPB-UHFFFAOYSA-N
MW355.20 g/mol
LogP3.84
Rot. Bonds4

About 2,3-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide

2,3-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 18112706) has the molecular formula C16H13Cl2FN2O2 and a molecular weight of 355.20 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID18112706
Molecular FormulaC16H13Cl2FN2O2
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC Name2,3-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H13Cl2FN2O2/c1-21(16(23)12-3-2-4-13(17)15(12)18)9-14(22)20-11-7-5-10(19)6-8-11/h2-8H,9H2,1H3,(H,20,22)
InChIKeyGTEYJYYRUKKSPB-UHFFFAOYSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 112792625
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-nitrobenzamide
CID 18112696
3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9441407
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2,4-difluoro-N-methylbenzamide
CID 2502921
2-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 2468311
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
CID 134121107
2-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253059
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 27794645
2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484091
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylfuran-3-carboxamide
CID 17452813
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 8503139

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 2,3-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide (CID 18112706) is 2,3-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 2,3-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 2,3-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is GTEYJYYRUKKSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2O2/c1-21(16(23)12-3-2-4-13(17)15(12)18)9-14(22)20-11-7-5-10(19)6-8-11/h2-8H,9H2,1H3,(H,20,22).
What are the key properties of 2,3-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
2,3-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 355.20 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 18112706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).