N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide

C26H26Cl3NO — CID 22270527

IUPACN-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide
SMILESCC(Cc1ccc(Cl)cc1)C(=O)NC(C)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H26Cl3NO/c1-17(15-19-3-9-22(27)10-4-19)26(31)30-18(2)25(21-7-13-24(29)14-8-21)16-20-5-11-23(28)12-6-20/h3-14,17-18,25H,15-16H2,1-2H3,(H,30,31)
InChIKeyWLYDIBXQQLMVHF-UHFFFAOYSA-N
MW474.86 g/mol
LogP7.36
Rot. Bonds8

About N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide

N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide (PubChem CID 22270527) has the molecular formula C26H26Cl3NO and a molecular weight of 474.86 g/mol. Its IUPAC name is N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide
PubChem CID22270527
Molecular FormulaC26H26Cl3NO
Molecular Weight474.86 g/mol
Exact Mass473.11
IUPAC NameN-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide
SMILESCC(Cc1ccc(Cl)cc1)C(=O)NC(C)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H26Cl3NO/c1-17(15-19-3-9-22(27)10-4-19)26(31)30-18(2)25(21-7-13-24(29)14-8-21)16-20-5-11-23(28)12-6-20/h3-14,17-18,25H,15-16H2,1-2H3,(H,30,31)
InChIKeyWLYDIBXQQLMVHF-UHFFFAOYSA-N
XLogP7.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.86
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide
CID 10237327
1-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)urea
CID 10173713
N-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide
CID 142818762
3-(4-chlorophenyl)-N-methoxy-2-methylpropanamide
CID 110618089
N-[3,4-bis(4-chlorophenyl)butan-2-yl]quinoline-4-carboxamide
CID 10288329
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 10194383
1,3-bis(4-chlorophenyl)-2-methylpropan-1-one
CID 86090557
N-[(2R,3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
CID 70997075
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-(2-methylphenyl)-5-oxopentanamide
CID 23404775
2-[2-[[3-(4-chlorophenyl)-4-(4-methoxyphenyl)butan-2-yl]amino]-2-oxoethyl]butanedioic acid
CID 19073785
methyl (2S)-3-(4-chlorophenyl)-2-methylpropanoate
CID 40999700
N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide
CID 10025786

Frequently Asked Questions

What is the IUPAC name of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide?
The IUPAC name of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide (CID 22270527) is N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide?
The canonical SMILES for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide is CC(Cc1ccc(Cl)cc1)C(=O)NC(C)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide?
The InChIKey is WLYDIBXQQLMVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl3NO/c1-17(15-19-3-9-22(27)10-4-19)26(31)30-18(2)25(21-7-13-24(29)14-8-21)16-20-5-11-23(28)12-6-20/h3-14,17-18,25H,15-16H2,1-2H3,(H,30,31).
What are the key properties of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide?
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide has a molecular weight of 474.86 g/mol, XLogP of 7.36, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide is sourced from PubChem (CID 22270527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).