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

C14H13ClN2O — CID 931231

IUPACN-(2-chloro-3-pyridinyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccnc1Cl
InChIInChI=1S/C14H13ClN2O/c15-14-12(7-4-10-16-14)17-13(18)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,17,18)
InChIKeySOQUGEVGUWQIGW-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.31
Rot. Bonds4

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

N-(2-chloro-3-pyridinyl)-3-phenylpropanamide (PubChem CID 931231) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-3-phenylpropanamide
PubChem CID931231
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC NameN-(2-chloro-3-pyridinyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccnc1Cl
InChIInChI=1S/C14H13ClN2O/c15-14-12(7-4-10-16-14)17-13(18)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,17,18)
InChIKeySOQUGEVGUWQIGW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-3-phenylpropanamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-3-phenylpropanamide (CID 931231) is N-(2-chloro-3-pyridinyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-3-phenylpropanamide?
The InChIKey is SOQUGEVGUWQIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-14-12(7-4-10-16-14)17-13(18)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,17,18).
What are the key properties of N-(2-chloro-3-pyridinyl)-3-phenylpropanamide?
N-(2-chloro-3-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-(2-chloro-3-pyridinyl)-3-phenylpropanamide is sourced from PubChem (CID 931231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).