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

C36H31ClN2O4 — CID 22010907

IUPACN-(4-chloro-2-phenylmethoxyphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide
SMILESCOc1cc(C(=O)N(C)c2ccc(Cl)cc2OCc2ccccc2)ccc1NC(=O)c1ccccc1-c1ccc(C)cc1
InChIInChI=1S/C36H31ClN2O4/c1-24-13-15-26(16-14-24)29-11-7-8-12-30(29)35(40)38-31-19-17-27(21-33(31)42-3)36(41)39(2)32-20-18-28(37)22-34(32)43-23-25-9-5-4-6-10-25/h4-22H,23H2,1-3H3,(H,38,40)
InChIKeyJWRZVEANZKKKHT-UHFFFAOYSA-N
MW591.11 g/mol
LogP8.43
Rot. Bonds9

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

N-(4-chloro-2-phenylmethoxyphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide (PubChem CID 22010907) has the molecular formula C36H31ClN2O4 and a molecular weight of 591.11 g/mol. Its IUPAC name is N-(4-chloro-2-phenylmethoxyphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-phenylmethoxyphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide
PubChem CID22010907
Molecular FormulaC36H31ClN2O4
Molecular Weight591.11 g/mol
Exact Mass590.20
IUPAC NameN-(4-chloro-2-phenylmethoxyphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide
SMILESCOc1cc(C(=O)N(C)c2ccc(Cl)cc2OCc2ccccc2)ccc1NC(=O)c1ccccc1-c1ccc(C)cc1
InChIInChI=1S/C36H31ClN2O4/c1-24-13-15-26(16-14-24)29-11-7-8-12-30(29)35(40)38-31-19-17-27(21-33(31)42-3)36(41)39(2)32-20-18-28(37)22-34(32)43-23-25-9-5-4-6-10-25/h4-22H,23H2,1-3H3,(H,38,40)
InChIKeyJWRZVEANZKKKHT-UHFFFAOYSA-N
XLogP8.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.11
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(4-chloro-2-phenylmethoxyphenyl)-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide
CID 22010726
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
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
2-amino-N-[2-methoxy-4-[[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]-methylcarbamoyl]phenyl]-3-nitrobenzamide
CID 18354910
N-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide
CID 22010622
N-(4-chloro-2-methoxyphenyl)-2-[2-[[(4-methylbenzoyl)amino]carbamoyl]phenoxy]acetamide
CID 26854426
4-[[2-(3-aminopropoxy)benzoyl]amino]-N-[2-[4-(dimethylcarbamoylamino)butoxy]-4-methylphenyl]-3-methoxy-N-methylbenzamide
CID 70058200
4-[[2-(3-aminopropoxy)benzoyl]amino]-N-methyl-N-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]-3-phenylmethoxybenzamide
CID 18791544
N-[4-[[2-[4-(1,3-dioxoisoindol-2-yl)butoxy]-4-methylphenyl]-methylcarbamoyl]-2-methoxyphenyl]-2-methyl-1H-benzimidazole-4-carboxamide
CID 18354873

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-phenylmethoxyphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide?
The IUPAC name of N-(4-chloro-2-phenylmethoxyphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide (CID 22010907) is N-(4-chloro-2-phenylmethoxyphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(4-chloro-2-phenylmethoxyphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(4-chloro-2-phenylmethoxyphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide is COc1cc(C(=O)N(C)c2ccc(Cl)cc2OCc2ccccc2)ccc1NC(=O)c1ccccc1-c1ccc(C)cc1.
What is the InChIKey of N-(4-chloro-2-phenylmethoxyphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide?
The InChIKey is JWRZVEANZKKKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31ClN2O4/c1-24-13-15-26(16-14-24)29-11-7-8-12-30(29)35(40)38-31-19-17-27(21-33(31)42-3)36(41)39(2)32-20-18-28(37)22-34(32)43-23-25-9-5-4-6-10-25/h4-22H,23H2,1-3H3,(H,38,40).
What are the key properties of N-(4-chloro-2-phenylmethoxyphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide?
N-(4-chloro-2-phenylmethoxyphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide has a molecular weight of 591.11 g/mol, XLogP of 8.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-phenylmethoxyphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide is sourced from PubChem (CID 22010907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).