3-chloro-N-(4-chloro-2-phenylmethoxyphenyl)-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide

C35H28Cl2N2O3 — CID 22010726

IUPAC3-chloro-N-(4-chloro-2-phenylmethoxyphenyl)-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide
SMILESCc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccc(Cl)cc3OCc3ccccc3)cc2Cl)cc1
InChIInChI=1S/C35H28Cl2N2O3/c1-23-12-14-25(15-13-23)28-10-6-7-11-29(28)34(40)38-31-18-16-26(20-30(31)37)35(41)39(2)32-19-17-27(36)21-33(32)42-22-24-8-4-3-5-9-24/h3-21H,22H2,1-2H3,(H,38,40)
InChIKeyMSYCKDSHFVTBSG-UHFFFAOYSA-N
MW595.53 g/mol
LogP9.08
Rot. Bonds8

About 3-chloro-N-(4-chloro-2-phenylmethoxyphenyl)-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide

3-chloro-N-(4-chloro-2-phenylmethoxyphenyl)-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide (PubChem CID 22010726) has the molecular formula C35H28Cl2N2O3 and a molecular weight of 595.53 g/mol. Its IUPAC name is 3-chloro-N-(4-chloro-2-phenylmethoxyphenyl)-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name3-chloro-N-(4-chloro-2-phenylmethoxyphenyl)-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide
PubChem CID22010726
Molecular FormulaC35H28Cl2N2O3
Molecular Weight595.53 g/mol
Exact Mass594.15
IUPAC Name3-chloro-N-(4-chloro-2-phenylmethoxyphenyl)-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide
SMILESCc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccc(Cl)cc3OCc3ccccc3)cc2Cl)cc1
InChIInChI=1S/C35H28Cl2N2O3/c1-23-12-14-25(15-13-23)28-10-6-7-11-29(28)34(40)38-31-18-16-26(20-30(31)37)35(41)39(2)32-19-17-27(36)21-33(32)42-22-24-8-4-3-5-9-24/h3-21H,22H2,1-2H3,(H,38,40)
InChIKeyMSYCKDSHFVTBSG-UHFFFAOYSA-N
XLogP9.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.53
LogP ≤ 59.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-phenylmethoxyphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide
CID 22010907
N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide
CID 22011026
6-[2-[[4-[[2-(4-aminophenyl)benzoyl]amino]-3-methoxybenzoyl]-methylamino]-5-methylphenoxy]hexanoic acid
CID 22010617
N-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide
CID 22010622
ethyl 6-[2-[[3-methoxy-4-[(2-phenylbenzoyl)amino]benzoyl]-methylamino]-5-methylphenoxy]hexanoate
CID 22010990
N-[2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methoxy]-4-methylphenyl]-4-[(2-hydroxybenzoyl)amino]-3-methoxy-N-methylbenzamide
CID 18791450
2-methoxy-N-methyl-N-(4-methyl-2-phenylmethoxyphenyl)benzamide
CID 140987457
N-(5-chloro-2-methylphenyl)-2-phenylmethoxybenzamide
CID 4946400
4-[[2-(3-aminopropoxy)benzoyl]amino]-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]-3-phenylmethoxybenzamide
CID 18791544
3-chloro-N-[2-[6-[4-(dimethylamino)piperidin-1-yl]-6-oxohexoxy]-4-methylphenyl]-4-[(2-hydroxybenzoyl)amino]-N-methylbenzamide
CID 18791472
4-[[2-(3-aminopropoxy)benzoyl]amino]-3-chloro-N-[2-[6-[4-(dimethylamino)piperidin-1-yl]-6-oxohexoxy]-4-methylphenyl]-N-methylbenzamide
CID 18791321
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-chloro-2-phenylmethoxyphenyl)-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide?
The IUPAC name of 3-chloro-N-(4-chloro-2-phenylmethoxyphenyl)-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide (CID 22010726) is 3-chloro-N-(4-chloro-2-phenylmethoxyphenyl)-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide.
What is the SMILES notation for 3-chloro-N-(4-chloro-2-phenylmethoxyphenyl)-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide?
The canonical SMILES for 3-chloro-N-(4-chloro-2-phenylmethoxyphenyl)-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide is Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccc(Cl)cc3OCc3ccccc3)cc2Cl)cc1.
What is the InChIKey of 3-chloro-N-(4-chloro-2-phenylmethoxyphenyl)-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide?
The InChIKey is MSYCKDSHFVTBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28Cl2N2O3/c1-23-12-14-25(15-13-23)28-10-6-7-11-29(28)34(40)38-31-18-16-26(20-30(31)37)35(41)39(2)32-19-17-27(36)21-33(32)42-22-24-8-4-3-5-9-24/h3-21H,22H2,1-2H3,(H,38,40).
What are the key properties of 3-chloro-N-(4-chloro-2-phenylmethoxyphenyl)-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide?
3-chloro-N-(4-chloro-2-phenylmethoxyphenyl)-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide has a molecular weight of 595.53 g/mol, XLogP of 9.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-chloro-2-phenylmethoxyphenyl)-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide is sourced from PubChem (CID 22010726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).