N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide

C15H14ClFN2O — CID 115497155

IUPACN-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide
SMILESCCC(NC(=O)c1cccc(F)n1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClFN2O/c1-2-12(10-5-3-6-11(16)9-10)19-15(20)13-7-4-8-14(17)18-13/h3-9,12H,2H2,1H3,(H,19,20)
InChIKeyQQUYEOSCPYUCFF-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.76
Rot. Bonds4

About N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide

N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide (PubChem CID 115497155) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide
PubChem CID115497155
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC NameN-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide
SMILESCCC(NC(=O)c1cccc(F)n1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClFN2O/c1-2-12(10-5-3-6-11(16)9-10)19-15(20)13-7-4-8-14(17)18-13/h3-9,12H,2H2,1H3,(H,19,20)
InChIKeyQQUYEOSCPYUCFF-UHFFFAOYSA-N
XLogP3.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide
CID 62234195
N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide
CID 62511498
2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide
CID 63110061
4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide
CID 63526336
N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
CID 46587498
6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 62304057
2-amino-N-[1-(3-chlorophenyl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62792897
N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide
CID 75871852
N-[1-(3-chlorophenyl)propyl]-8-fluoro-4-oxo-1H-cinnoline-3-carboxamide
CID 166351348
1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 110894209
(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide
CID 79011821
N-[1-(3-chlorophenyl)propyl]-2-(ethylamino)-2-methylpropanamide
CID 62833393

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide (CID 115497155) is N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide is CCC(NC(=O)c1cccc(F)n1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide?
The InChIKey is QQUYEOSCPYUCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-2-12(10-5-3-6-11(16)9-10)19-15(20)13-7-4-8-14(17)18-13/h3-9,12H,2H2,1H3,(H,19,20).
What are the key properties of N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide?
N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide has a molecular weight of 292.74 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 115497155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).