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

C21H25Cl2NO — CID 10237327

IUPACN-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC(C)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H25Cl2NO/c1-14(2)12-21(25)24-15(3)20(17-6-10-19(23)11-7-17)13-16-4-8-18(22)9-5-16/h4-11,14-15,20H,12-13H2,1-3H3,(H,24,25)
InChIKeyLSNQPHQDMXLLGX-UHFFFAOYSA-N
MW378.34 g/mol
LogP5.87
Rot. Bonds7

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

N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide (PubChem CID 10237327) has the molecular formula C21H25Cl2NO and a molecular weight of 378.34 g/mol. Its IUPAC name is N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide
PubChem CID10237327
Molecular FormulaC21H25Cl2NO
Molecular Weight378.34 g/mol
Exact Mass377.13
IUPAC NameN-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC(C)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H25Cl2NO/c1-14(2)12-21(25)24-15(3)20(17-6-10-19(23)11-7-17)13-16-4-8-18(22)9-5-16/h4-11,14-15,20H,12-13H2,1-3H3,(H,24,25)
InChIKeyLSNQPHQDMXLLGX-UHFFFAOYSA-N
XLogP5.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.34
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide
CID 22270527
1-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)urea
CID 10173713
2-[2-[[3-(4-chlorophenyl)-4-(4-methoxyphenyl)butan-2-yl]amino]-2-oxoethyl]butanedioic acid
CID 19073785
N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide
CID 60548268
N-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide
CID 142818762
2-[2-[[4-(3-chlorophenyl)-3-(4-chlorophenyl)butan-2-yl]amino]-2-oxoethyl]butanedioic acid
CID 19073788
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
N-[3,4-bis(4-chlorophenyl)butan-2-yl]quinoline-4-carboxamide
CID 10288329
2-[2-[[4-(4-chlorophenyl)-3-[4-(2-methoxyphenyl)phenyl]butan-2-yl]amino]-2-oxoethyl]butanedioic acid
CID 19073771
(4-chlorophenyl)methanol;4-[1-(3-methylbutanoylamino)ethyl]benzoic acid
CID 156722088
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 23404768

Frequently Asked Questions

What is the IUPAC name of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide?
The IUPAC name of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide (CID 10237327) is N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide is CC(C)CC(=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-methylbutanamide?
The InChIKey is LSNQPHQDMXLLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2NO/c1-14(2)12-21(25)24-15(3)20(17-6-10-19(23)11-7-17)13-16-4-8-18(22)9-5-16/h4-11,14-15,20H,12-13H2,1-3H3,(H,24,25).
What are the key properties of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide?
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide has a molecular weight of 378.34 g/mol, XLogP of 5.87, 7 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-methylbutanamide is sourced from PubChem (CID 10237327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).