4-(2-chloro-6-fluoro-3-methylbenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide

C18H13ClFN3O2 — CID 134610564

IUPAC4-(2-chloro-6-fluoro-3-methylbenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
SMILESCc1ccc(F)c(C(=O)c2c[nH]c(C(=O)Nc3cccnc3)c2)c1Cl
InChIInChI=1S/C18H13ClFN3O2/c1-10-4-5-13(20)15(16(10)19)17(24)11-7-14(22-8-11)18(25)23-12-3-2-6-21-9-12/h2-9,22H,1H3,(H,23,25)
InChIKeyZGLJOHSAVBJIPK-UHFFFAOYSA-N
MW357.77 g/mol
LogP3.99
Rot. Bonds4

About 4-(2-chloro-6-fluoro-3-methylbenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide

4-(2-chloro-6-fluoro-3-methylbenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide (PubChem CID 134610564) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is 4-(2-chloro-6-fluoro-3-methylbenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-6-fluoro-3-methylbenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
PubChem CID134610564
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC Name4-(2-chloro-6-fluoro-3-methylbenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
SMILESCc1ccc(F)c(C(=O)c2c[nH]c(C(=O)Nc3cccnc3)c2)c1Cl
InChIInChI=1S/C18H13ClFN3O2/c1-10-4-5-13(20)15(16(10)19)17(24)11-7-14(22-8-11)18(25)23-12-3-2-6-21-9-12/h2-9,22H,1H3,(H,23,25)
InChIKeyZGLJOHSAVBJIPK-UHFFFAOYSA-N
XLogP3.99
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-chloro-6-fluoro-3-methylbenzoyl)-N-pyridin-3-yl-1H-pyrrole-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

4-(2,6-difluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
CID 118959104
4-(2-fluoro-5-methylbenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide
CID 134610472
4-[(2-chloro-6-fluorophenyl)-hydroxymethyl]-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
CID 135135602
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
4-(3,6-dichloro-2-fluorobenzoyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide
CID 134610326
4-(2-chloro-6-fluorobenzoyl)-N-(2-methoxy-4-pyridinyl)-1H-pyrrole-2-carboxamide
CID 118959157
3,5-dichloro-N-pyridin-3-ylbenzamide
CID 1245821
4-(2-bromo-6-fluorobenzoyl)-N-(6-fluoro-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 134610622
6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 163252988
2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide
CID 10192785
4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide
CID 1117984
4,6-difluoro-N-[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide
CID 68845952

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluoro-3-methylbenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2-chloro-6-fluoro-3-methylbenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide (CID 134610564) is 4-(2-chloro-6-fluoro-3-methylbenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-chloro-6-fluoro-3-methylbenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-chloro-6-fluoro-3-methylbenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide is Cc1ccc(F)c(C(=O)c2c[nH]c(C(=O)Nc3cccnc3)c2)c1Cl.
What is the InChIKey of 4-(2-chloro-6-fluoro-3-methylbenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide?
The InChIKey is ZGLJOHSAVBJIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c1-10-4-5-13(20)15(16(10)19)17(24)11-7-14(22-8-11)18(25)23-12-3-2-6-21-9-12/h2-9,22H,1H3,(H,23,25).
What are the key properties of 4-(2-chloro-6-fluoro-3-methylbenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide?
4-(2-chloro-6-fluoro-3-methylbenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide has a molecular weight of 357.77 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluoro-3-methylbenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 134610564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).