N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide

C11H8ClF2N3O — CID 103515148

IUPACN-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cccn1)C(F)F
InChIInChI=1S/C11H8ClF2N3O/c12-7-2-3-9(17-5-1-4-15-17)8(6-7)16-11(18)10(13)14/h1-6,10H,(H,16,18)
InChIKeyQFSXVTDYETVXEX-UHFFFAOYSA-N
MW271.65 g/mol
LogP2.73
Rot. Bonds3

About N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide

N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide (PubChem CID 103515148) has the molecular formula C11H8ClF2N3O and a molecular weight of 271.65 g/mol. Its IUPAC name is N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide
PubChem CID103515148
Molecular FormulaC11H8ClF2N3O
Molecular Weight271.65 g/mol
Exact Mass271.03
IUPAC NameN-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cccn1)C(F)F
InChIInChI=1S/C11H8ClF2N3O/c12-7-2-3-9(17-5-1-4-15-17)8(6-7)16-11(18)10(13)14/h1-6,10H,(H,16,18)
InChIKeyQFSXVTDYETVXEX-UHFFFAOYSA-N
XLogP2.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.65
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide
CID 61179959
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852915
2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide
CID 81082949
2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide
CID 60927429
N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60927204
3-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide
CID 64523056
2-[2-(5-chloro-2-pyrazol-1-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569143
ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 61062622
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide
CID 60927428
2,2,2-trifluoroethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 65173978
N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 60928453
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982635

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide?
The IUPAC name of N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide (CID 103515148) is N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide is O=C(Nc1cc(Cl)ccc1-n1cccn1)C(F)F.
What is the InChIKey of N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide?
The InChIKey is QFSXVTDYETVXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3O/c12-7-2-3-9(17-5-1-4-15-17)8(6-7)16-11(18)10(13)14/h1-6,10H,(H,16,18).
What are the key properties of N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide?
N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide has a molecular weight of 271.65 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide is sourced from PubChem (CID 103515148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).