N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide

C21H19ClN4O — CID 53098855

IUPACN-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-c2cc(N3CCCC3)ncn2)cc1
InChIInChI=1S/C21H19ClN4O/c22-17-7-9-18(10-8-17)25-21(27)16-5-3-15(4-6-16)19-13-20(24-14-23-19)26-11-1-2-12-26/h3-10,13-14H,1-2,11-12H2,(H,25,27)
InChIKeyOXXQRPJYULRHFV-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.65
Rot. Bonds4

About N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide

N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide (PubChem CID 53098855) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
PubChem CID53098855
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC NameN-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-c2cc(N3CCCC3)ncn2)cc1
InChIInChI=1S/C21H19ClN4O/c22-17-7-9-18(10-8-17)25-21(27)16-5-3-15(4-6-16)19-13-20(24-14-23-19)26-11-1-2-12-26/h3-10,13-14H,1-2,11-12H2,(H,25,27)
InChIKeyOXXQRPJYULRHFV-UHFFFAOYSA-N
XLogP4.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098839
N-(3-chloro-4-methoxyphenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53098899
N-(3,5-dimethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098854
N-(4-bromo-3-methylphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098851
N-(3-chlorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53099012
N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108537
4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544651
N-(4-butylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 53098930
N-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098874
N-(3-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53099047
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098734
6-(azepan-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109355592

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide (CID 53098855) is N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide is O=C(Nc1ccc(Cl)cc1)c1ccc(-c2cc(N3CCCC3)ncn2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
The InChIKey is OXXQRPJYULRHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c22-17-7-9-18(10-8-17)25-21(27)16-5-3-15(4-6-16)19-13-20(24-14-23-19)26-11-1-2-12-26/h3-10,13-14H,1-2,11-12H2,(H,25,27).
What are the key properties of N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide has a molecular weight of 378.86 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 53098855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).