N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide

C8H5ClF2N2O3 — CID 103514907

IUPACN-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(F)F
InChIInChI=1S/C8H5ClF2N2O3/c9-5-3-4(13(15)16)1-2-6(5)12-8(14)7(10)11/h1-3,7H,(H,12,14)
InChIKeyGOIUBVVRWKONIY-UHFFFAOYSA-N
MW250.59 g/mol
LogP2.45
Rot. Bonds3

About N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide

N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide (PubChem CID 103514907) has the molecular formula C8H5ClF2N2O3 and a molecular weight of 250.59 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide
PubChem CID103514907
Molecular FormulaC8H5ClF2N2O3
Molecular Weight250.59 g/mol
Exact Mass250.00
IUPAC NameN-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(F)F
InChIInChI=1S/C8H5ClF2N2O3/c9-5-3-4(13(15)16)1-2-6(5)12-8(14)7(10)11/h1-3,7H,(H,12,14)
InChIKeyGOIUBVVRWKONIY-UHFFFAOYSA-N
XLogP2.45
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.59
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide 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-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
2-amino-N-(2-chloro-4-nitrophenyl)propanamide
CID 43218156
N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide
CID 60638642
2-bromo-N-(2-chloro-4-nitrophenyl)butanamide
CID 62856327
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea
CID 47196003
N-(2-chloro-4-nitrophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 3632427
N-[2,5-dichloro-4-[(2,2-difluoroacetyl)amino]phenyl]-2,2-difluoroacetamide
CID 2354239
(2R)-2-amino-N-(2-chloro-4-nitrophenyl)-4-methylsulfanylbutanamide
CID 104907199
N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide
CID 43218215
N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide
CID 79200154

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide (CID 103514907) is N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide is O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(F)F.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide?
The InChIKey is GOIUBVVRWKONIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O3/c9-5-3-4(13(15)16)1-2-6(5)12-8(14)7(10)11/h1-3,7H,(H,12,14).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide?
N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide has a molecular weight of 250.59 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide is sourced from PubChem (CID 103514907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).