N-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide

C24H19ClN4O2 — CID 53078359

IUPACN-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)cc1Cl
InChIInChI=1S/C24H19ClN4O2/c1-31-21-12-11-19(15-20(21)25)28-24(30)17-7-9-18(10-8-17)27-22-13-14-26-23(29-22)16-5-3-2-4-6-16/h2-15H,1H3,(H,28,30)(H,26,27,29)
InChIKeyPWEGNDXTYVWQSE-UHFFFAOYSA-N
MW430.90 g/mol
LogP5.80
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide

N-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide (PubChem CID 53078359) has the molecular formula C24H19ClN4O2 and a molecular weight of 430.90 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
PubChem CID53078359
Molecular FormulaC24H19ClN4O2
Molecular Weight430.90 g/mol
Exact Mass430.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)cc1Cl
InChIInChI=1S/C24H19ClN4O2/c1-31-21-12-11-19(15-20(21)25)28-24(30)17-7-9-18(10-8-17)27-22-13-14-26-23(29-22)16-5-3-2-4-6-16/h2-15H,1H3,(H,28,30)(H,26,27,29)
InChIKeyPWEGNDXTYVWQSE-UHFFFAOYSA-N
XLogP5.80
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.90
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078360
N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 46331382
N-(3,4-dimethoxyphenyl)-4-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078134
N-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078224
4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109090928
N-[(2,4-dimethoxyphenyl)methyl]-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078371
4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 53078296
N-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078235
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
4-N-(3-chloro-4-methoxyphenyl)-6-N-(4-chlorophenyl)-2-phenylpyrimidine-4,6-diamine
CID 171320844
N-(3-chloro-4-methoxyphenyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320698
N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide
CID 109177805

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide (CID 53078359) is N-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide is COc1ccc(NC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide?
The InChIKey is PWEGNDXTYVWQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O2/c1-31-21-12-11-19(15-20(21)25)28-24(30)17-7-9-18(10-8-17)27-22-13-14-26-23(29-22)16-5-3-2-4-6-16/h2-15H,1H3,(H,28,30)(H,26,27,29).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide?
N-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide has a molecular weight of 430.90 g/mol, XLogP of 5.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 53078359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).