N-[(2-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide

C20H19ClN4O — CID 108792460

IUPACN-[(2-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
SMILESCc1cc(C)nc(Nc2cccc(C(=O)NCc3ccccc3Cl)c2)n1
InChIInChI=1S/C20H19ClN4O/c1-13-10-14(2)24-20(23-13)25-17-8-5-7-15(11-17)19(26)22-12-16-6-3-4-9-18(16)21/h3-11H,12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyLTIBKHFPHQAVBH-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.42
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide

N-[(2-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide (PubChem CID 108792460) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
PubChem CID108792460
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
SMILESCc1cc(C)nc(Nc2cccc(C(=O)NCc3ccccc3Cl)c2)n1
InChIInChI=1S/C20H19ClN4O/c1-13-10-14(2)24-20(23-13)25-17-8-5-7-15(11-17)19(26)22-12-16-6-3-4-9-18(16)21/h3-11H,12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyLTIBKHFPHQAVBH-UHFFFAOYSA-N
XLogP4.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328941
N-[(2-chlorophenyl)methyl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826639
N-[(2-chlorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797150
2-chloro-N-[(2-chlorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378301
N-butyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780131
2-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170767
2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257438
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2,4,6-trichlorophenyl)benzamide
CID 108792603
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257443
N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide
CID 109257471
6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109156880

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide (CID 108792460) is N-[(2-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide is Cc1cc(C)nc(Nc2cccc(C(=O)NCc3ccccc3Cl)c2)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
The InChIKey is LTIBKHFPHQAVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-10-14(2)24-20(23-13)25-17-8-5-7-15(11-17)19(26)22-12-16-6-3-4-9-18(16)21/h3-11H,12H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide?
N-[(2-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide has a molecular weight of 366.85 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 108792460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).