N-[(2-chlorophenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide

C22H21ClN4O — CID 53108739

IUPACN-[(2-chlorophenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(NCc1ccccc1Cl)c1cccc(-c2cnc(N3CCCC3)nc2)c1
InChIInChI=1S/C22H21ClN4O/c23-20-9-2-1-6-18(20)13-24-21(28)17-8-5-7-16(12-17)19-14-25-22(26-15-19)27-10-3-4-11-27/h1-2,5-9,12,14-15H,3-4,10-11,13H2,(H,24,28)
InChIKeyGYVSYBNXEIJCKR-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.33
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide

N-[(2-chlorophenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide (PubChem CID 53108739) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
PubChem CID53108739
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(NCc1ccccc1Cl)c1cccc(-c2cnc(N3CCCC3)nc2)c1
InChIInChI=1S/C22H21ClN4O/c23-20-9-2-1-6-18(20)13-24-21(28)17-8-5-7-16(12-17)19-14-25-22(26-15-19)27-10-3-4-11-27/h1-2,5-9,12,14-15H,3-4,10-11,13H2,(H,24,28)
InChIKeyGYVSYBNXEIJCKR-UHFFFAOYSA-N
XLogP4.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-propan-2-ylphenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108749
N-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide
CID 46389949
N-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 46382606
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109257408
N-[(2-chlorophenyl)methyl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826639
2-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256918
N-(2,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108798
N-[1-(4-methylphenyl)ethyl]-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108802
N-[(2-chlorophenyl)methyl]-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170717
N-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 53150001
N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
CID 2971835
3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054733

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide (CID 53108739) is N-[(2-chlorophenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide is O=C(NCc1ccccc1Cl)c1cccc(-c2cnc(N3CCCC3)nc2)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The InChIKey is GYVSYBNXEIJCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-20-9-2-1-6-18(20)13-24-21(28)17-8-5-7-16(12-17)19-14-25-22(26-15-19)27-10-3-4-11-27/h1-2,5-9,12,14-15H,3-4,10-11,13H2,(H,24,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
N-[(2-chlorophenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide has a molecular weight of 392.89 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 53108739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).