N-[3-(5-chloro-2-pyridinyl)propyl]-N-methyl-2-phenylbenzamide

C22H21ClN2O — CID 160508133

IUPACN-[3-(5-chloro-2-pyridinyl)propyl]-N-methyl-2-phenylbenzamide
SMILESCN(CCCc1ccc(Cl)cn1)C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H21ClN2O/c1-25(15-7-10-19-14-13-18(23)16-24-19)22(26)21-12-6-5-11-20(21)17-8-3-2-4-9-17/h2-6,8-9,11-14,16H,7,10,15H2,1H3
InChIKeyQSRMARNVRNQQCS-UHFFFAOYSA-N
MW364.88 g/mol
LogP5.11
Rot. Bonds6

About N-[3-(5-chloro-2-pyridinyl)propyl]-N-methyl-2-phenylbenzamide

N-[3-(5-chloro-2-pyridinyl)propyl]-N-methyl-2-phenylbenzamide (PubChem CID 160508133) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is N-[3-(5-chloro-2-pyridinyl)propyl]-N-methyl-2-phenylbenzamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2-pyridinyl)propyl]-N-methyl-2-phenylbenzamide
PubChem CID160508133
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC NameN-[3-(5-chloro-2-pyridinyl)propyl]-N-methyl-2-phenylbenzamide
SMILESCN(CCCc1ccc(Cl)cn1)C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H21ClN2O/c1-25(15-7-10-19-14-13-18(23)16-24-19)22(26)21-12-6-5-11-20(21)17-8-3-2-4-9-17/h2-6,8-9,11-14,16H,7,10,15H2,1H3
InChIKeyQSRMARNVRNQQCS-UHFFFAOYSA-N
XLogP5.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.88
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R)-1-(5-chloro-2-pyridinyl)-5-methylhexan-3-yl]-2-phenylbenzamide
CID 160860689
N-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide
CID 131985638
N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 55981283
N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3,3-dimethylbutan-2-yl]-N-methyl-2-phenylbenzamide
CID 118917834
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(furan-2-yl)propyl]-N-methylbenzamide
CID 46288611
4-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 43090074
4-[(5-chloro-2-pyridinyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 86795441
N-[2-(5-chloro-2-pyridinyl)ethyl]-2-iodobenzamide
CID 71416436
4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 58791114
1-N,2-N-bis(2-hydroxyethyl)-1-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 54303134
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 66463234
5-amino-N,2-dimethyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 61040317

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2-pyridinyl)propyl]-N-methyl-2-phenylbenzamide?
The IUPAC name of N-[3-(5-chloro-2-pyridinyl)propyl]-N-methyl-2-phenylbenzamide (CID 160508133) is N-[3-(5-chloro-2-pyridinyl)propyl]-N-methyl-2-phenylbenzamide.
What is the SMILES notation for N-[3-(5-chloro-2-pyridinyl)propyl]-N-methyl-2-phenylbenzamide?
The canonical SMILES for N-[3-(5-chloro-2-pyridinyl)propyl]-N-methyl-2-phenylbenzamide is CN(CCCc1ccc(Cl)cn1)C(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[3-(5-chloro-2-pyridinyl)propyl]-N-methyl-2-phenylbenzamide?
The InChIKey is QSRMARNVRNQQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O/c1-25(15-7-10-19-14-13-18(23)16-24-19)22(26)21-12-6-5-11-20(21)17-8-3-2-4-9-17/h2-6,8-9,11-14,16H,7,10,15H2,1H3.
What are the key properties of N-[3-(5-chloro-2-pyridinyl)propyl]-N-methyl-2-phenylbenzamide?
N-[3-(5-chloro-2-pyridinyl)propyl]-N-methyl-2-phenylbenzamide has a molecular weight of 364.88 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2-pyridinyl)propyl]-N-methyl-2-phenylbenzamide is sourced from PubChem (CID 160508133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).