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

C17H13ClN4O — CID 117073988

IUPAC4-[(5-chloro-4-phenylpyrimidin-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2ncc(Cl)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H13ClN4O/c18-14-10-20-17(22-15(14)11-4-2-1-3-5-11)21-13-8-6-12(7-9-13)16(19)23/h1-10H,(H2,19,23)(H,20,21,22)
InChIKeyWSURVIAUCFDUON-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.64
Rot. Bonds4

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

4-[(5-chloro-4-phenylpyrimidin-2-yl)amino]benzamide (PubChem CID 117073988) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 4-[(5-chloro-4-phenylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(5-chloro-4-phenylpyrimidin-2-yl)amino]benzamide
PubChem CID117073988
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name4-[(5-chloro-4-phenylpyrimidin-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2ncc(Cl)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H13ClN4O/c18-14-10-20-17(22-15(14)11-4-2-1-3-5-11)21-13-8-6-12(7-9-13)16(19)23/h1-10H,(H2,19,23)(H,20,21,22)
InChIKeyWSURVIAUCFDUON-UHFFFAOYSA-N
XLogP3.64
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]benzoic acid
CID 151311084
4-[(4-anilino-5-carbamoylpyrimidin-2-yl)amino]benzoic acid
CID 143285070
4-[[4-[(2-chlorophenyl)methyl]pyrimidin-2-yl]amino]benzamide
CID 160807964
4-[[5-chloro-4-[2-(2-oxo-2-pyrrolidin-1-ylacetyl)anilino]pyrimidin-2-yl]amino]benzamide
CID 134224242
2-[[2-(4-carboxyanilino)-5-chloropyrimidin-4-yl]amino]benzoic acid
CID 70702131
4-[[5-chloro-4-(2-iodoanilino)pyrimidin-2-yl]amino]benzoic acid
CID 166150113
5-chloro-4-phenylpyrimidine-2-carboxylic acid
CID 156842588
5-chloro-4-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 71458913
3-chloro-4-[(4-phenylpyrimidin-2-yl)amino]benzamide
CID 59588162
4-[(2-chloro-4-phenyl-1,3-thiazol-5-yl)sulfonylamino]benzamide
CID 167805479
4-(3-chloroquinolin-2-yl)benzamide
CID 164550210
4-[(2-chloroquinazolin-4-yl)amino]benzamide
CID 22692750

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-4-phenylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of 4-[(5-chloro-4-phenylpyrimidin-2-yl)amino]benzamide (CID 117073988) is 4-[(5-chloro-4-phenylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for 4-[(5-chloro-4-phenylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for 4-[(5-chloro-4-phenylpyrimidin-2-yl)amino]benzamide is NC(=O)c1ccc(Nc2ncc(Cl)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[(5-chloro-4-phenylpyrimidin-2-yl)amino]benzamide?
The InChIKey is WSURVIAUCFDUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c18-14-10-20-17(22-15(14)11-4-2-1-3-5-11)21-13-8-6-12(7-9-13)16(19)23/h1-10H,(H2,19,23)(H,20,21,22).
What are the key properties of 4-[(5-chloro-4-phenylpyrimidin-2-yl)amino]benzamide?
4-[(5-chloro-4-phenylpyrimidin-2-yl)amino]benzamide has a molecular weight of 324.77 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-4-phenylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 117073988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).