2-chloro-N-(4,5-difluoro-2-nitrophenyl)acetamide

C8H5ClF2N2O3 — CID 83309276

IUPAC2-chloro-N-(4,5-difluoro-2-nitrophenyl)acetamide
SMILESO=C(CCl)Nc1cc(F)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C8H5ClF2N2O3/c9-3-8(14)12-6-1-4(10)5(11)2-7(6)13(15)16/h1-2H,3H2,(H,12,14)
InChIKeyYTJTVGMCZBDIIF-UHFFFAOYSA-N
MW250.59 g/mol
LogP2.05
Rot. Bonds3

About 2-chloro-N-(4,5-difluoro-2-nitrophenyl)acetamide

2-chloro-N-(4,5-difluoro-2-nitrophenyl)acetamide (PubChem CID 83309276) has the molecular formula C8H5ClF2N2O3 and a molecular weight of 250.59 g/mol. Its IUPAC name is 2-chloro-N-(4,5-difluoro-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4,5-difluoro-2-nitrophenyl)acetamide
PubChem CID83309276
Molecular FormulaC8H5ClF2N2O3
Molecular Weight250.59 g/mol
Exact Mass250.00
IUPAC Name2-chloro-N-(4,5-difluoro-2-nitrophenyl)acetamide
SMILESO=C(CCl)Nc1cc(F)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C8H5ClF2N2O3/c9-3-8(14)12-6-1-4(10)5(11)2-7(6)13(15)16/h1-2H,3H2,(H,12,14)
InChIKeyYTJTVGMCZBDIIF-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(4,5-difluoro-2-nitroanilino)propan-2-ol
CID 168640845
2-chloro-N-[4-(diaminomethylideneamino)sulfonyl-2-nitrophenyl]acetamide
CID 16761096
methyl 3-(4,5-difluoro-2-nitroanilino)propanoate
CID 112751953
2-chloro-N-(4-nitro-2,1,3-benzoxadiazol-7-yl)acetamide
CID 177471219
4-chloro-N-(2,4-difluoro-5-nitrophenyl)butanamide
CID 55203675
N-(5-chloro-4-fluoro-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 2779513
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
N-(4-chloro-2-nitrophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108807032
2-chloro-N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide
CID 15285981
5-chloro-N-(6-nitro-1,3-benzodioxol-5-yl)pentanamide
CID 43697753
3-chloro-N-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide
CID 63679959
[2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 4-chlorobenzoate
CID 7483993

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,5-difluoro-2-nitrophenyl)acetamide?
The IUPAC name of 2-chloro-N-(4,5-difluoro-2-nitrophenyl)acetamide (CID 83309276) is 2-chloro-N-(4,5-difluoro-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4,5-difluoro-2-nitrophenyl)acetamide?
The canonical SMILES for 2-chloro-N-(4,5-difluoro-2-nitrophenyl)acetamide is O=C(CCl)Nc1cc(F)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-(4,5-difluoro-2-nitrophenyl)acetamide?
The InChIKey is YTJTVGMCZBDIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O3/c9-3-8(14)12-6-1-4(10)5(11)2-7(6)13(15)16/h1-2H,3H2,(H,12,14).
What are the key properties of 2-chloro-N-(4,5-difluoro-2-nitrophenyl)acetamide?
2-chloro-N-(4,5-difluoro-2-nitrophenyl)acetamide has a molecular weight of 250.59 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,5-difluoro-2-nitrophenyl)acetamide is sourced from PubChem (CID 83309276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).