N-(3-chlorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide

C21H19ClN4O — CID 53099012

IUPACN-(3-chlorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccc(-c2cc(N3CCCC3)ncn2)c1
InChIInChI=1S/C21H19ClN4O/c22-17-7-4-8-18(12-17)25-21(27)16-6-3-5-15(11-16)19-13-20(24-14-23-19)26-9-1-2-10-26/h3-8,11-14H,1-2,9-10H2,(H,25,27)
InChIKeyOUPIBUYQPKTKKW-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.65
Rot. Bonds4

About N-(3-chlorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide

N-(3-chlorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide (PubChem CID 53099012) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
PubChem CID53099012
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC NameN-(3-chlorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccc(-c2cc(N3CCCC3)ncn2)c1
InChIInChI=1S/C21H19ClN4O/c22-17-7-4-8-18(12-17)25-21(27)16-6-3-5-15(11-16)19-13-20(24-14-23-19)26-9-1-2-10-26/h3-8,11-14H,1-2,9-10H2,(H,25,27)
InChIKeyOUPIBUYQPKTKKW-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-(3-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53099047
N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098855
3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544619
N-tert-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53009848
N-(3-chlorophenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062148
N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170437
N-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53009839
N-(3-chloro-4-methoxyphenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53098899
N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628628
N-[(4-propan-2-ylphenyl)methyl]-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53099037
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

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
The IUPAC name of N-(3-chlorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide (CID 53099012) is N-(3-chlorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide is O=C(Nc1cccc(Cl)c1)c1cccc(-c2cc(N3CCCC3)ncn2)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
The InChIKey is OUPIBUYQPKTKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c22-17-7-4-8-18(12-17)25-21(27)16-6-3-5-15(11-16)19-13-20(24-14-23-19)26-9-1-2-10-26/h3-8,11-14H,1-2,9-10H2,(H,25,27).
What are the key properties of N-(3-chlorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
N-(3-chlorophenyl)-3-(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-(3-chlorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 53099012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).