N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide

C13H12ClFN2O — CID 25189628

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide
SMILESCc1cc[nH]c1C(=O)NCc1c(F)cccc1Cl
InChIInChI=1S/C13H12ClFN2O/c1-8-5-6-16-12(8)13(18)17-7-9-10(14)3-2-4-11(9)15/h2-6,16H,7H2,1H3,(H,17,18)
InChIKeyVXXORYZRZBKIKG-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.05
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide (PubChem CID 25189628) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide
PubChem CID25189628
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide
SMILESCc1cc[nH]c1C(=O)NCc1c(F)cccc1Cl
InChIInChI=1S/C13H12ClFN2O/c1-8-5-6-16-12(8)13(18)17-7-9-10(14)3-2-4-11(9)15/h2-6,16H,7H2,1H3,(H,17,18)
InChIKeyVXXORYZRZBKIKG-UHFFFAOYSA-N
XLogP3.05
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-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

N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489242
1-[(2-Chlorophenyl)methyl]pyrrole-2-carboxamide
CID 3239748
N-methyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide
CID 16110287
N-benzyl-1H-pyrrole-2-carboxamide
CID 11019886
N-benzyl-N-methyl-1H-pyrrole-2-carboxamide
CID 11085165
N-2-phenylethyl-1H-pyrrole-2-carboxamide
CID 16110286
N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 16110288
N-[(1s)-1-(2-Chloro-6-Fluorophenyl)ethyl]-5-Cyano-1-Methyl-1h-Pyrrole-2-Carboxamide
CID 24857830
3-Chloranyl-4-Pyridin-4-Yl-1h-Pyrrole-2-Carboxamide
CID 81689726
N-((4-Methylphenyl)methyl)-1H-pyrrole-2-carboxamide
CID 1489245
6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
CID 638578
2-chloro-N-(pyridin-2-ylmethyl)benzamide
CID 668839

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide (CID 25189628) is N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide is Cc1cc[nH]c1C(=O)NCc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is VXXORYZRZBKIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-8-5-6-16-12(8)13(18)17-7-9-10(14)3-2-4-11(9)15/h2-6,16H,7H2,1H3,(H,17,18).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 266.70 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 25189628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).