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

C29H25Cl2NO — CID 142818762

IUPACN-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide
SMILESCC(NC(=O)c1ccc(-c2ccccc2)cc1)[C@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C29H25Cl2NO/c1-20(32-29(33)25-11-9-23(10-12-25)22-5-3-2-4-6-22)28(24-13-17-27(31)18-14-24)19-21-7-15-26(30)16-8-21/h2-18,20,28H,19H2,1H3,(H,32,33)/t20?,28-/m0/s1
InChIKeyOQODPAZBLGNLTA-GPIXMLASSA-N
MW474.43 g/mol
LogP7.81
Rot. Bonds7

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

N-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide (PubChem CID 142818762) has the molecular formula C29H25Cl2NO and a molecular weight of 474.43 g/mol. Its IUPAC name is N-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide
PubChem CID142818762
Molecular FormulaC29H25Cl2NO
Molecular Weight474.43 g/mol
Exact Mass473.13
IUPAC NameN-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide
SMILESCC(NC(=O)c1ccc(-c2ccccc2)cc1)[C@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C29H25Cl2NO/c1-20(32-29(33)25-11-9-23(10-12-25)22-5-3-2-4-6-22)28(24-13-17-27(31)18-14-24)19-21-7-15-26(30)16-8-21/h2-18,20,28H,19H2,1H3,(H,32,33)/t20?,28-/m0/s1
InChIKeyOQODPAZBLGNLTA-GPIXMLASSA-N
XLogP7.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.43
LogP ≤ 57.81
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
N-[3,4-bis(4-chlorophenyl)butan-2-yl]quinoline-4-carboxamide
CID 10288329
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
2-[4-(4-chlorophenyl)-3-(4-phenylphenyl)butan-2-yl]isoindole-1,3-dione
CID 19073645
N-[(2R,3R)-3,4-bis(4-chlorophenyl)butan-2-yl]pyridin-1-ium-3-carboxamide;2,2,2-trifluoroacetate
CID 162337049
(3R)-5-[[(2S,3S)-4-(3,4-dichlorophenyl)-3-(4-phenylphenyl)butan-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 57205631
N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide
CID 10025786
2-[2-[[4-(4-chlorophenyl)-3-[4-(2-methoxyphenyl)phenyl]butan-2-yl]amino]-2-oxoethyl]butanedioic acid
CID 19073771
N-[2-(4-chlorophenyl)-1-dimethoxyphosphorylethyl]benzamide
CID 100927094
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-(2-methylphenyl)-5-oxopentanamide
CID 23404775
4-chloro-N-(3-methylbutan-2-yl)benzamide
CID 4263927

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide (CID 142818762) is N-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide is CC(NC(=O)c1ccc(-c2ccccc2)cc1)[C@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide?
The InChIKey is OQODPAZBLGNLTA-GPIXMLASSA-N. The full InChI is InChI=1S/C29H25Cl2NO/c1-20(32-29(33)25-11-9-23(10-12-25)22-5-3-2-4-6-22)28(24-13-17-27(31)18-14-24)19-21-7-15-26(30)16-8-21/h2-18,20,28H,19H2,1H3,(H,32,33)/t20?,28-/m0/s1.
What are the key properties of N-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide?
N-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide has a molecular weight of 474.43 g/mol, XLogP of 7.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 142818762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).