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

C15H15ClN2O — CID 11839529

IUPACN-(2-chloro-3-pyridinyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cccnc1Cl)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-2-12(11-7-4-3-5-8-11)15(19)18-13-9-6-10-17-14(13)16/h3-10,12H,2H2,1H3,(H,18,19)
InChIKeyKXMOMTYUERKLKD-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.87
Rot. Bonds4

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

N-(2-chloro-3-pyridinyl)-2-phenylbutanamide (PubChem CID 11839529) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-phenylbutanamide
PubChem CID11839529
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-(2-chloro-3-pyridinyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cccnc1Cl)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-2-12(11-7-4-3-5-8-11)15(19)18-13-9-6-10-17-14(13)16/h3-10,12H,2H2,1H3,(H,18,19)
InChIKeyKXMOMTYUERKLKD-UHFFFAOYSA-N
XLogP3.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloro-3-pyridinyl)-2-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-phenylbutanamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-phenylbutanamide (CID 11839529) is N-(2-chloro-3-pyridinyl)-2-phenylbutanamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-phenylbutanamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-phenylbutanamide is CCC(C(=O)Nc1cccnc1Cl)c1ccccc1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-phenylbutanamide?
The InChIKey is KXMOMTYUERKLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-2-12(11-7-4-3-5-8-11)15(19)18-13-9-6-10-17-14(13)16/h3-10,12H,2H2,1H3,(H,18,19).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-phenylbutanamide?
N-(2-chloro-3-pyridinyl)-2-phenylbutanamide has a molecular weight of 274.75 g/mol, XLogP of 3.87, 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)-2-phenylbutanamide is sourced from PubChem (CID 11839529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).