1-[4-(3-chloro-4-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(4-chloro-2-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(3,5-dichlorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;4-(3,4-dichlorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide;4-(2,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide

C93H98Cl6F4N2O10 — CID 158547404

IUPAC1-[4-(3-chloro-4-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(4-chloro-2-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(3,5-dichlorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;4-(3,4-dichlorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide;4-(2,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide
SMILESCOCc1cc(C(=O)CC(C)C)ccc1-c1cc(Cl)cc(Cl)c1.COCc1cc(C(=O)CC(C)C)ccc1-c1ccc(Cl)cc1F.COCc1cc(C(=O)CC(C)C)ccc1-c1ccc(F)c(Cl)c1.COCc1cc(C(=O)NC(C)C)ccc1-c1ccc(Cl)c(Cl)c1.COCc1cc(C(=O)NC(C)C)ccc1-c1ccc(F)cc1F
InChIInChI=1S/C19H20Cl2O2.2C19H20ClFO2.C18H19Cl2NO2.C18H19F2NO2/c1-12(2)6-19(22)13-4-5-18(15(7-13)11-23-3)14-8-16(20)10-17(21)9-14;1-12(2)8-19(22)14-4-6-16(15(9-14)11-23-3)13-5-7-18(21)17(20)10-13;1-12(2)8-19(22)13-4-6-16(14(9-13)11-23-3)17-7-5-15(20)10-18(17)21;1-11(2)21-18(22)13-4-6-15(14(8-13)10-23-3)12-5-7-16(19)17(20)9-12;1-11(2)21-18(22)12-4-6-15(13(8-12)10-23-3)16-7-5-14(19)9-17(16)20/h4-5,7-10,12H,6,11H2,1-3H3;2*4-7,9-10,12H,8,11H2,1-3H3;2*4-9,11H,10H2,1-3H3,(H,21,22)
InChIKeyHPHFRCFCJZIOCP-UHFFFAOYSA-N
MW1692.52 g/mol
LogP25.94
Rot. Bonds28

About 1-[4-(3-chloro-4-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(4-chloro-2-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(3,5-dichlorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;4-(3,4-dichlorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide;4-(2,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide

1-[4-(3-chloro-4-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(4-chloro-2-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(3,5-dichlorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;4-(3,4-dichlorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide;4-(2,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide (PubChem CID 158547404) has the molecular formula C93H98Cl6F4N2O10 and a molecular weight of 1692.52 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(4-chloro-2-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(3,5-dichlorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;4-(3,4-dichlorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide;4-(2,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name1-[4-(3-chloro-4-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(4-chloro-2-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(3,5-dichlorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;4-(3,4-dichlorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide;4-(2,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide
PubChem CID158547404
Molecular FormulaC93H98Cl6F4N2O10
Molecular Weight1692.52 g/mol
Exact Mass1688.53
IUPAC Name1-[4-(3-chloro-4-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(4-chloro-2-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(3,5-dichlorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;4-(3,4-dichlorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide;4-(2,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide
SMILESCOCc1cc(C(=O)CC(C)C)ccc1-c1cc(Cl)cc(Cl)c1.COCc1cc(C(=O)CC(C)C)ccc1-c1ccc(Cl)cc1F.COCc1cc(C(=O)CC(C)C)ccc1-c1ccc(F)c(Cl)c1.COCc1cc(C(=O)NC(C)C)ccc1-c1ccc(Cl)c(Cl)c1.COCc1cc(C(=O)NC(C)C)ccc1-c1ccc(F)cc1F
InChIInChI=1S/C19H20Cl2O2.2C19H20ClFO2.C18H19Cl2NO2.C18H19F2NO2/c1-12(2)6-19(22)13-4-5-18(15(7-13)11-23-3)14-8-16(20)10-17(21)9-14;1-12(2)8-19(22)14-4-6-16(15(9-14)11-23-3)13-5-7-18(21)17(20)10-13;1-12(2)8-19(22)13-4-6-16(14(9-13)11-23-3)17-7-5-15(20)10-18(17)21;1-11(2)21-18(22)13-4-6-15(14(8-13)10-23-3)12-5-7-16(19)17(20)9-12;1-11(2)21-18(22)12-4-6-15(13(8-12)10-23-3)16-7-5-14(19)9-17(16)20/h4-5,7-10,12H,6,11H2,1-3H3;2*4-7,9-10,12H,8,11H2,1-3H3;2*4-9,11H,10H2,1-3H3,(H,21,22)
InChIKeyHPHFRCFCJZIOCP-UHFFFAOYSA-N
XLogP25.94
TPSA155.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001692.52
LogP ≤ 525.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[4-(3-chloro-4-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(4-chloro-2-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(3,5-dichlorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;4-(3,4-dichlorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide;4-(2,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-4-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(4-chloro-2-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(3,5-dichlorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;4-(3,4-dichlorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide;4-(2,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 1-[4-(3-chloro-4-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(4-chloro-2-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(3,5-dichlorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;4-(3,4-dichlorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide;4-(2,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide (CID 158547404) is 1-[4-(3-chloro-4-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(4-chloro-2-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(3,5-dichlorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;4-(3,4-dichlorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide;4-(2,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 1-[4-(3-chloro-4-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(4-chloro-2-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(3,5-dichlorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;4-(3,4-dichlorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide;4-(2,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 1-[4-(3-chloro-4-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(4-chloro-2-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(3,5-dichlorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;4-(3,4-dichlorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide;4-(2,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide is COCc1cc(C(=O)CC(C)C)ccc1-c1cc(Cl)cc(Cl)c1.COCc1cc(C(=O)CC(C)C)ccc1-c1ccc(Cl)cc1F.COCc1cc(C(=O)CC(C)C)ccc1-c1ccc(F)c(Cl)c1.COCc1cc(C(=O)NC(C)C)ccc1-c1ccc(Cl)c(Cl)c1.COCc1cc(C(=O)NC(C)C)ccc1-c1ccc(F)cc1F.
What is the InChIKey of 1-[4-(3-chloro-4-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(4-chloro-2-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(3,5-dichlorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;4-(3,4-dichlorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide;4-(2,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide?
The InChIKey is HPHFRCFCJZIOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2O2.2C19H20ClFO2.C18H19Cl2NO2.C18H19F2NO2/c1-12(2)6-19(22)13-4-5-18(15(7-13)11-23-3)14-8-16(20)10-17(21)9-14;1-12(2)8-19(22)14-4-6-16(15(9-14)11-23-3)13-5-7-18(21)17(20)10-13;1-12(2)8-19(22)13-4-6-16(14(9-13)11-23-3)17-7-5-15(20)10-18(17)21;1-11(2)21-18(22)13-4-6-15(14(8-13)10-23-3)12-5-7-16(19)17(20)9-12;1-11(2)21-18(22)12-4-6-15(13(8-12)10-23-3)16-7-5-14(19)9-17(16)20/h4-5,7-10,12H,6,11H2,1-3H3;2*4-7,9-10,12H,8,11H2,1-3H3;2*4-9,11H,10H2,1-3H3,(H,21,22).
What are the key properties of 1-[4-(3-chloro-4-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(4-chloro-2-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(3,5-dichlorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;4-(3,4-dichlorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide;4-(2,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide?
1-[4-(3-chloro-4-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(4-chloro-2-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(3,5-dichlorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;4-(3,4-dichlorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide;4-(2,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide has a molecular weight of 1692.52 g/mol, XLogP of 25.94, 28 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-4-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(4-chloro-2-fluorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;1-[4-(3,5-dichlorophenyl)-3-(methoxymethyl)phenyl]-3-methylbutan-1-one;4-(3,4-dichlorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide;4-(2,4-difluorophenyl)-3-(methoxymethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 158547404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).