N-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-(2-methylphenyl)-5-oxopentanamide

C28H29Cl2NO2 — CID 23404775

IUPACN-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-(2-methylphenyl)-5-oxopentanamide
SMILESCc1ccccc1C(=O)CCCC(=O)NC(C)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C28H29Cl2NO2/c1-19-6-3-4-7-25(19)27(32)8-5-9-28(33)31-20(2)26(22-12-16-24(30)17-13-22)18-21-10-14-23(29)15-11-21/h3-4,6-7,10-17,20,26H,5,8-9,18H2,1-2H3,(H,31,33)
InChIKeyHSRDFWDEKQJQBU-UHFFFAOYSA-N
MW482.45 g/mol
LogP7.19
Rot. Bonds10

About N-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-(2-methylphenyl)-5-oxopentanamide

N-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-(2-methylphenyl)-5-oxopentanamide (PubChem CID 23404775) has the molecular formula C28H29Cl2NO2 and a molecular weight of 482.45 g/mol. Its IUPAC name is N-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-(2-methylphenyl)-5-oxopentanamide.

Molecular Properties

Compound NameN-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-(2-methylphenyl)-5-oxopentanamide
PubChem CID23404775
Molecular FormulaC28H29Cl2NO2
Molecular Weight482.45 g/mol
Exact Mass481.16
IUPAC NameN-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-(2-methylphenyl)-5-oxopentanamide
SMILESCc1ccccc1C(=O)CCCC(=O)NC(C)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C28H29Cl2NO2/c1-19-6-3-4-7-25(19)27(32)8-5-9-28(33)31-20(2)26(22-12-16-24(30)17-13-22)18-21-10-14-23(29)15-11-21/h3-4,6-7,10-17,20,26H,5,8-9,18H2,1-2H3,(H,31,33)
InChIKeyHSRDFWDEKQJQBU-UHFFFAOYSA-N
XLogP7.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.45
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide
CID 10237327
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide
CID 22270527
3-(1,3-benzothiazol-2-yl)-N-[3,4-bis(4-chlorophenyl)butan-2-yl]propanamide
CID 22270678
N-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide
CID 142818762
1-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)urea
CID 10173713
N-[3,4-bis(4-chlorophenyl)butan-2-yl]quinoline-4-carboxamide
CID 10288329
N-[(2R,3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
CID 70997075
2-(4-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60798390
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanamide
CID 10152547
N-[(2R)-1-amino-2,3-bis(4-chlorophenyl)propyl]-2-chlorobenzamide
CID 142818729
2-[2-[[3-(4-chlorophenyl)-4-(4-methoxyphenyl)butan-2-yl]amino]-2-oxoethyl]butanedioic acid
CID 19073785
N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79200504

Frequently Asked Questions

What is the IUPAC name of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-(2-methylphenyl)-5-oxopentanamide?
The IUPAC name of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-(2-methylphenyl)-5-oxopentanamide (CID 23404775) is N-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-(2-methylphenyl)-5-oxopentanamide.
What is the SMILES notation for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-(2-methylphenyl)-5-oxopentanamide?
The canonical SMILES for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-(2-methylphenyl)-5-oxopentanamide is Cc1ccccc1C(=O)CCCC(=O)NC(C)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-(2-methylphenyl)-5-oxopentanamide?
The InChIKey is HSRDFWDEKQJQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29Cl2NO2/c1-19-6-3-4-7-25(19)27(32)8-5-9-28(33)31-20(2)26(22-12-16-24(30)17-13-22)18-21-10-14-23(29)15-11-21/h3-4,6-7,10-17,20,26H,5,8-9,18H2,1-2H3,(H,31,33).
What are the key properties of N-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-(2-methylphenyl)-5-oxopentanamide?
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-(2-methylphenyl)-5-oxopentanamide has a molecular weight of 482.45 g/mol, XLogP of 7.19, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-(2-methylphenyl)-5-oxopentanamide is sourced from PubChem (CID 23404775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).