4-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]benzamide

C18H15ClN4O — CID 160807964

IUPAC4-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nccc(Cc3ccccc3Cl)n2)cc1
InChIInChI=1S/C18H15ClN4O/c19-16-4-2-1-3-13(16)11-15-9-10-21-18(23-15)22-14-7-5-12(6-8-14)17(20)24/h1-10H,11H2,(H2,20,24)(H,21,22,23)
InChIKeyVRNQUMPDFGNMRS-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.56
Rot. Bonds5

About 4-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]benzamide

4-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]benzamide (PubChem CID 160807964) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 4-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]benzamide
PubChem CID160807964
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name4-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nccc(Cc3ccccc3Cl)n2)cc1
InChIInChI=1S/C18H15ClN4O/c19-16-4-2-1-3-13(16)11-15-9-10-21-18(23-15)22-14-7-5-12(6-8-14)17(20)24/h1-10H,11H2,(H2,20,24)(H,21,22,23)
InChIKeyVRNQUMPDFGNMRS-UHFFFAOYSA-N
XLogP3.56
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]phenyl]-4-(dimethylamino)butan-1-one
CID 153069790
5-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 148698162
4-[(5-chloro-4-phenylpyrimidin-2-yl)amino]benzamide
CID 117073988
4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
CID 69235477
ethyl 4-[[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112891859
2-(4-carbamoylanilino)-N-(2-chloro-6-fluorophenyl)-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine-5-carboxamide
CID 152918334
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109305909
4-[[4-(4-pyrrol-1-ylphenyl)pyrimidin-2-yl]amino]benzamide
CID 58599454
2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257457
4-[3-(2-chlorophenyl)prop-1-en-2-yl]-N-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-amine
CID 123587195
4-(ethylaminomethyl)-N-phenylpyrimidin-2-amine
CID 114206914
2-(4-acetylanilino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide
CID 109316275

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 4-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]benzamide (CID 160807964) is 4-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]benzamide is NC(=O)c1ccc(Nc2nccc(Cc3ccccc3Cl)n2)cc1.
What is the InChIKey of 4-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]benzamide?
The InChIKey is VRNQUMPDFGNMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-16-4-2-1-3-13(16)11-15-9-10-21-18(23-15)22-14-7-5-12(6-8-14)17(20)24/h1-10H,11H2,(H2,20,24)(H,21,22,23).
What are the key properties of 4-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]benzamide?
4-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]benzamide has a molecular weight of 338.80 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 160807964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).