N-[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]butanamide

C20H18ClN3O — CID 134146826

IUPACN-[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]butanamide
SMILESCCCC(=O)Nc1ncc(-c2cccc(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C20H18ClN3O/c1-2-7-18(25)23-20-22-13-17(15-10-6-11-16(21)12-15)19(24-20)14-8-4-3-5-9-14/h3-6,8-13H,2,7H2,1H3,(H,22,23,24,25)
InChIKeyMWWJWHCKKKIUNE-UHFFFAOYSA-N
MW351.84 g/mol
LogP5.20
Rot. Bonds5

About N-[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]butanamide

N-[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]butanamide (PubChem CID 134146826) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]butanamide.

Molecular Properties

Compound NameN-[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]butanamide
PubChem CID134146826
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC NameN-[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]butanamide
SMILESCCCC(=O)Nc1ncc(-c2cccc(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C20H18ClN3O/c1-2-7-18(25)23-20-22-13-17(15-10-6-11-16(21)12-15)19(24-20)14-8-4-3-5-9-14/h3-6,8-13H,2,7H2,1H3,(H,22,23,24,25)
InChIKeyMWWJWHCKKKIUNE-UHFFFAOYSA-N
XLogP5.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.84
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-N'-[3-(2-methylpyrimidin-4-yl)phenyl]urea
CID 2819603
9-Chloro-7-(2-chlorophenyl)-5H-pyrimido(5,4-d)(2)benzazepine
CID 131736
2-(4-{[2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide
CID 74221424
N-(4-{5-[4-(butanoylamino)phenyl]pyrimidin-2-yl}phenyl)butanamide
CID 1272696
N-(4-methylpyrimidin-2-yl)-3,3-diphenylpropanamide
CID 839083
2-Amino-9-chloro-7-(2-fluorophenyl)-5H-pyrimido[5,4-d][2]benzazepine
CID 9862708
2-[3-(3-Chlorophenyl)piperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 11164978
9-Chloro-2-methyl-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine
CID 13225498
2-Amino-9-chloro-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine
CID 13225504
2-amino-9-chloro-7-(2-chlorophenyl)-5H-pyrimido[5,4-d][2]benzazepine
CID 13225505
9-chloro-7-(2-fluorophenyl)-5H-pyrimido[5,4-d][2]benzazepine
CID 13225509
2-Amino-9-chloro-7-(2-fluorophenyl)-5H-pyrimido[5,4-d][2]benzazepine-6-oxid
CID 13225512

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]butanamide?
The IUPAC name of N-[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]butanamide (CID 134146826) is N-[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]butanamide.
What is the SMILES notation for N-[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]butanamide?
The canonical SMILES for N-[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]butanamide is CCCC(=O)Nc1ncc(-c2cccc(Cl)c2)c(-c2ccccc2)n1.
What is the InChIKey of N-[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]butanamide?
The InChIKey is MWWJWHCKKKIUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-2-7-18(25)23-20-22-13-17(15-10-6-11-16(21)12-15)19(24-20)14-8-4-3-5-9-14/h3-6,8-13H,2,7H2,1H3,(H,22,23,24,25).
What are the key properties of N-[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]butanamide?
N-[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]butanamide has a molecular weight of 351.84 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]butanamide is sourced from PubChem (CID 134146826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).