N-[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]-3-methoxybenzamide

C25H21ClN4O3 — CID 142008292

IUPACN-[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c3C)cc2)c1
InChIInChI=1S/C25H21ClN4O3/c1-15-22(29-25(30-23(15)31)28-20-12-8-18(26)9-13-20)16-6-10-19(11-7-16)27-24(32)17-4-3-5-21(14-17)33-2/h3-14H,1-2H3,(H,27,32)(H2,28,29,30,31)
InChIKeyUEAAEXYHRQAWJI-UHFFFAOYSA-N
MW460.92 g/mol
LogP5.40
Rot. Bonds6

About N-[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]-3-methoxybenzamide

N-[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]-3-methoxybenzamide (PubChem CID 142008292) has the molecular formula C25H21ClN4O3 and a molecular weight of 460.92 g/mol. Its IUPAC name is N-[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]-3-methoxybenzamide
PubChem CID142008292
Molecular FormulaC25H21ClN4O3
Molecular Weight460.92 g/mol
Exact Mass460.13
IUPAC NameN-[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c3C)cc2)c1
InChIInChI=1S/C25H21ClN4O3/c1-15-22(29-25(30-23(15)31)28-20-12-8-18(26)9-13-20)16-6-10-19(11-7-16)27-24(32)17-4-3-5-21(14-17)33-2/h3-14H,1-2H3,(H,27,32)(H2,28,29,30,31)
InChIKeyUEAAEXYHRQAWJI-UHFFFAOYSA-N
XLogP5.40
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.92
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]sulfamoyl]phenyl]acetamide
CID 142008336
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-3-methoxybenzamide
CID 112984117
N-[4-[2-(4-chloroanilino)-5-cyano-6-oxo-1H-pyrimidin-4-yl]phenyl]furan-3-carboxamide
CID 135682381
3-methoxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]benzamide
CID 44826839
3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide
CID 38779477
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide
CID 46249095
N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
CID 3694257
3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1102694
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
3-chloro-4-fluoro-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
CID 46090601

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]-3-methoxybenzamide (CID 142008292) is N-[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(-c3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c3C)cc2)c1.
What is the InChIKey of N-[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]-3-methoxybenzamide?
The InChIKey is UEAAEXYHRQAWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O3/c1-15-22(29-25(30-23(15)31)28-20-12-8-18(26)9-13-20)16-6-10-19(11-7-16)27-24(32)17-4-3-5-21(14-17)33-2/h3-14H,1-2H3,(H,27,32)(H2,28,29,30,31).
What are the key properties of N-[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]-3-methoxybenzamide?
N-[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]-3-methoxybenzamide has a molecular weight of 460.92 g/mol, XLogP of 5.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chloroanilino)-5-methyl-6-oxo-1H-pyrimidin-4-yl]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 142008292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).