N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide

C20H17ClN2O — CID 748517

IUPACN-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide
SMILESO=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C20H17ClN2O/c21-18-11-9-16(10-12-18)14-20(24)23(19-8-4-5-13-22-19)15-17-6-2-1-3-7-17/h1-13H,14-15H2
InChIKeyXMRPZRGAVFJQTJ-UHFFFAOYSA-N
MW336.82 g/mol
LogP4.51
Rot. Bonds5

About N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide

N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide (PubChem CID 748517) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide
PubChem CID748517
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC NameN-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide
SMILESO=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C20H17ClN2O/c21-18-11-9-16(10-12-18)14-20(24)23(19-8-4-5-13-22-19)15-17-6-2-1-3-7-17/h1-13H,14-15H2
InChIKeyXMRPZRGAVFJQTJ-UHFFFAOYSA-N
XLogP4.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 13304853
N-benzyl-2-methoxy-N-pyridin-2-ylacetamide
CID 798237
N-benzyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide
CID 121051656
4-chloro-N-[(2-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 35577356
4-[(4-chlorophenyl)methoxy]-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylbenzamide
CID 154811127
N-[(4-tert-butylphenyl)methyl]-2,4-dichloro-N-pyridin-2-ylbenzamide
CID 139583068
N,2-diphenyl-N-pyridin-2-ylacetamide
CID 24832254
2-chloro-N-[(3-hydroxyphenyl)methyl]-N-pyridin-2-ylacetamide
CID 82110912
N-benzyl-4-chloro-2-methyl-N-pyridin-2-yl-1H-pyrazol-2-ium-5-carboxamide
CID 5069932
N-benzyl-2,4-dimethyl-N-pyridin-2-ylpyrimidine-5-carboxamide
CID 84596527
N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
CID 70976609
N-benzyl-2-(6-oxopyrimidin-1-yl)-N-pyridin-2-ylacetamide
CID 121064221

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide?
The IUPAC name of N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide (CID 748517) is N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide is O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide?
The InChIKey is XMRPZRGAVFJQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c21-18-11-9-16(10-12-18)14-20(24)23(19-8-4-5-13-22-19)15-17-6-2-1-3-7-17/h1-13H,14-15H2.
What are the key properties of N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide?
N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide has a molecular weight of 336.82 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 748517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).