3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide

C11H9ClFN3O — CID 81047299

IUPAC3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cn[nH]c1)c1cccc(Cl)c1F
InChIInChI=1S/C11H9ClFN3O/c12-9-3-1-2-8(10(9)13)11(17)14-4-7-5-15-16-6-7/h1-3,5-6H,4H2,(H,14,17)(H,15,16)
InChIKeyRFUWUVRARCEVHW-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.13
Rot. Bonds3

About 3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide

3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 81047299) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID81047299
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cn[nH]c1)c1cccc(Cl)c1F
InChIInChI=1S/C11H9ClFN3O/c12-9-3-1-2-8(10(9)13)11(17)14-4-7-5-15-16-6-7/h1-3,5-6H,4H2,(H,14,17)(H,15,16)
InChIKeyRFUWUVRARCEVHW-UHFFFAOYSA-N
XLogP2.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide 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

5-[[(3-chloro-2-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81266256
3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 82829412
2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736201
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61375925
N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide
CID 61003404
4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 103829705
3-chloro-2-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115703996
2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 113257865
2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54904588
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 62511186
3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63186396
3-fluoro-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 105385866

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 81047299) is 3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide is O=C(NCc1cn[nH]c1)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is RFUWUVRARCEVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c12-9-3-1-2-8(10(9)13)11(17)14-4-7-5-15-16-6-7/h1-3,5-6H,4H2,(H,14,17)(H,15,16).
What are the key properties of 3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide?
3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 253.66 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 81047299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).