N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide

C13H12ClFN2O — CID 25189693

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1c(F)cccc1Cl
InChIInChI=1S/C13H12ClFN2O/c1-17-7-3-6-12(17)13(18)16-8-9-10(14)4-2-5-11(9)15/h2-7H,8H2,1H3,(H,16,18)
InChIKeyRLUOCUVCNYFENV-UHFFFAOYSA-N
MW266.70 g/mol
LogP2.75
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 25189693) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
PubChem CID25189693
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1c(F)cccc1Cl
InChIInChI=1S/C13H12ClFN2O/c1-17-7-3-6-12(17)13(18)16-8-9-10(14)4-2-5-11(9)15/h2-7H,8H2,1H3,(H,16,18)
InChIKeyRLUOCUVCNYFENV-UHFFFAOYSA-N
XLogP2.75
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-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

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide (CID 25189693) is N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NCc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is RLUOCUVCNYFENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-17-7-3-6-12(17)13(18)16-8-9-10(14)4-2-5-11(9)15/h2-7H,8H2,1H3,(H,16,18).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 266.70 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 25189693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).