N-[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-4-methylphenyl]benzamide

C27H22ClNO2 — CID 139235708

IUPACN-[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-4-methylphenyl]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccccc3)c(-c3ccc(Cl)cc3)cc2C)cc1
InChIInChI=1S/C27H22ClNO2/c1-18-16-25(20-8-12-22(28)13-9-20)26(29-27(30)21-6-4-3-5-7-21)17-24(18)19-10-14-23(31-2)15-11-19/h3-17H,1-2H3,(H,29,30)
InChIKeyHYSHNCQRXUUCNS-UHFFFAOYSA-N
MW427.93 g/mol
LogP7.24
Rot. Bonds5

About N-[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-4-methylphenyl]benzamide

N-[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-4-methylphenyl]benzamide (PubChem CID 139235708) has the molecular formula C27H22ClNO2 and a molecular weight of 427.93 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-4-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-4-methylphenyl]benzamide
PubChem CID139235708
Molecular FormulaC27H22ClNO2
Molecular Weight427.93 g/mol
Exact Mass427.13
IUPAC NameN-[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-4-methylphenyl]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccccc3)c(-c3ccc(Cl)cc3)cc2C)cc1
InChIInChI=1S/C27H22ClNO2/c1-18-16-25(20-8-12-22(28)13-9-20)26(29-27(30)21-6-4-3-5-7-21)17-24(18)19-10-14-23(31-2)15-11-19/h3-17H,1-2H3,(H,29,30)
InChIKeyHYSHNCQRXUUCNS-UHFFFAOYSA-N
XLogP7.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.93
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-3-methyl-2-(4-(4-(trifluoromethoxy)benzyl)phenyl)quinolin-4(1H)-one
CID 56965336
N-(2-chlorophenyl)-3-methoxy-2-naphthamide
CID 768464
4-[[5-[(3-Chlorophenoxy)methyl]-2-naphthyl]carbamoyl]benzoic acid
CID 3008802
4-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-N-(2,4-dimethylphenyl)benzamide
CID 994631
2-chloro-4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzamide
CID 17555992
n-[2-(n,n-Dimethylamino)methyl-6-tetralinyl]-(4'-methoxybiphenyl-4-yl)carboxamide
CID 9844702
N-[3-Benzoyl-4-(2-p-tolyl-acetylamino)-phenyl]-3-[5-(4-chloro-phenyl)-furan-2-yl]-acrylamide
CID 10231763
4-(4-methoxyphenyl)-N-[6-(pyrrolidin-1-ylmethyl)-7,8-dihydronaphthalen-2-yl]benzamide
CID 21939950
2-(2-Chloroanilino)-7-methoxy-10,11-dihydrodibenzo[a,d]-cyclohepten-5-one
CID 45280749
2QUINOLONE4HYDROXY7CHLORO3-p-MeO-BzPh
CID 54689452
7-chloro-3-methyl-2-[3-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one
CID 67616088
4-chloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063107

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-4-methylphenyl]benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-4-methylphenyl]benzamide (CID 139235708) is N-[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-4-methylphenyl]benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-4-methylphenyl]benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-4-methylphenyl]benzamide is COc1ccc(-c2cc(NC(=O)c3ccccc3)c(-c3ccc(Cl)cc3)cc2C)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-4-methylphenyl]benzamide?
The InChIKey is HYSHNCQRXUUCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClNO2/c1-18-16-25(20-8-12-22(28)13-9-20)26(29-27(30)21-6-4-3-5-7-21)17-24(18)19-10-14-23(31-2)15-11-19/h3-17H,1-2H3,(H,29,30).
What are the key properties of N-[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-4-methylphenyl]benzamide?
N-[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-4-methylphenyl]benzamide has a molecular weight of 427.93 g/mol, XLogP of 7.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-4-methylphenyl]benzamide is sourced from PubChem (CID 139235708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).