N-(5-chloro-2-pyridinyl)-3-phenylpropanamide

C14H13ClN2O — CID 581852

IUPACN-(5-chloro-2-pyridinyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H13ClN2O/c15-12-7-8-13(16-10-12)17-14(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,16,17,18)
InChIKeyVSYJPUBVIDGDSA-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.31
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-3-phenylpropanamide

N-(5-chloro-2-pyridinyl)-3-phenylpropanamide (PubChem CID 581852) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-phenylpropanamide
PubChem CID581852
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC NameN-(5-chloro-2-pyridinyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H13ClN2O/c15-12-7-8-13(16-10-12)17-14(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,16,17,18)
InChIKeyVSYJPUBVIDGDSA-UHFFFAOYSA-N
XLogP3.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-((4-chlorophenyl)methyl)pyridin-2-amine
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2-methyl-N-pyridin-2-ylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-phenylpropanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-phenylpropanamide (CID 581852) is N-(5-chloro-2-pyridinyl)-3-phenylpropanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-phenylpropanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-phenylpropanamide?
The InChIKey is VSYJPUBVIDGDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-12-7-8-13(16-10-12)17-14(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,16,17,18).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-phenylpropanamide?
N-(5-chloro-2-pyridinyl)-3-phenylpropanamide has a molecular weight of 260.72 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-phenylpropanamide is sourced from PubChem (CID 581852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).