2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

C12H11ClFN3O — CID 103855757

IUPAC2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(F)cc1Cl)c1cn[nH]c1
InChIInChI=1S/C12H11ClFN3O/c1-7(8-5-15-16-6-8)17-12(18)10-3-2-9(14)4-11(10)13/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyOMQRTXFHIRJBMU-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.69
Rot. Bonds3

About 2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (PubChem CID 103855757) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
PubChem CID103855757
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(F)cc1Cl)c1cn[nH]c1
InChIInChI=1S/C12H11ClFN3O/c1-7(8-5-15-16-6-8)17-12(18)10-3-2-9(14)4-11(10)13/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyOMQRTXFHIRJBMU-UHFFFAOYSA-N
XLogP2.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 47097751
2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55915530
2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856738
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856631
2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 31438784
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 113339663
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 46591256
2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
4,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 103856316
2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 114918156
2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856634
5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114158282

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (CID 103855757) is 2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is CC(NC(=O)c1ccc(F)cc1Cl)c1cn[nH]c1.
What is the InChIKey of 2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The InChIKey is OMQRTXFHIRJBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-7(8-5-15-16-6-8)17-12(18)10-3-2-9(14)4-11(10)13/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide has a molecular weight of 267.69 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 103855757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).