N-(5-chloro-2-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide

C24H19ClN4O2 — CID 53078360

IUPACN-(5-chloro-2-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H19ClN4O2/c1-31-21-12-9-18(25)15-20(21)28-24(30)17-7-10-19(11-8-17)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)
InChIKeyDLQPYRUGCKWNIH-UHFFFAOYSA-N
MW430.90 g/mol
LogP5.80
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide

N-(5-chloro-2-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide (PubChem CID 53078360) has the molecular formula C24H19ClN4O2 and a molecular weight of 430.90 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
PubChem CID53078360
Molecular FormulaC24H19ClN4O2
Molecular Weight430.90 g/mol
Exact Mass430.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H19ClN4O2/c1-31-21-12-9-18(25)15-20(21)28-24(30)17-7-10-19(11-8-17)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)
InChIKeyDLQPYRUGCKWNIH-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-(3-chloro-4-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078359
N-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078224
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-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078235
N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386575
N-(5-chloro-2-methoxyphenyl)-2-(3,4-difluoroanilino)pyridine-4-carboxamide
CID 109177834
N-[(2,4-dimethoxyphenyl)methyl]-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078371
4-(4-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 109221402
N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide
CID 112987245
N-(5-chloro-2-methoxyphenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163811
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide (CID 53078360) is N-(5-chloro-2-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide is COc1ccc(Cl)cc1NC(=O)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide?
The InChIKey is DLQPYRUGCKWNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O2/c1-31-21-12-9-18(25)15-20(21)28-24(30)17-7-10-19(11-8-17)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-(5-chloro-2-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide?
N-(5-chloro-2-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-(5-chloro-2-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 53078360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).