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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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).