N-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide

C14H11ClFN3O2 — CID 81227752

IUPACN-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1cnccc1Cl
InChIInChI=1S/C14H11ClFN3O2/c1-7-11(16)4-8(13(17)20)5-12(7)19-14(21)9-6-18-3-2-10(9)15/h2-6H,1H3,(H2,17,20)(H,19,21)
InChIKeyHCJOAVCAABYRAB-UHFFFAOYSA-N
MW307.71 g/mol
LogP2.53
Rot. Bonds3

About N-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide

N-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide (PubChem CID 81227752) has the molecular formula C14H11ClFN3O2 and a molecular weight of 307.71 g/mol. Its IUPAC name is N-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
PubChem CID81227752
Molecular FormulaC14H11ClFN3O2
Molecular Weight307.71 g/mol
Exact Mass307.05
IUPAC NameN-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1cnccc1Cl
InChIInChI=1S/C14H11ClFN3O2/c1-7-11(16)4-8(13(17)20)5-12(7)19-14(21)9-6-18-3-2-10(9)15/h2-6H,1H3,(H2,17,20)(H,19,21)
InChIKeyHCJOAVCAABYRAB-UHFFFAOYSA-N
XLogP2.53
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-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

N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 103280869
3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide
CID 60786943
3-chloro-N-(3-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 66484528
4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid
CID 81226642
3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 86992287
4-chloro-N-(3-fluoro-2-iodophenyl)pyridine-3-carboxamide
CID 114258700
N-(5-acetyl-2-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 71917356
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 63047676
5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide
CID 47244153
N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81226788
N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81263935
4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 81233431

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide?
The IUPAC name of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide (CID 81227752) is N-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide?
The canonical SMILES for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide is Cc1c(F)cc(C(N)=O)cc1NC(=O)c1cnccc1Cl.
What is the InChIKey of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide?
The InChIKey is HCJOAVCAABYRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O2/c1-7-11(16)4-8(13(17)20)5-12(7)19-14(21)9-6-18-3-2-10(9)15/h2-6H,1H3,(H2,17,20)(H,19,21).
What are the key properties of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide?
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide has a molecular weight of 307.71 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide is sourced from PubChem (CID 81227752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).