3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide

C10H10ClFN2O3 — CID 55110565

IUPAC3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide
SMILESCC(CCl)C(=O)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H10ClFN2O3/c1-6(5-11)10(15)13-9-4-7(14(16)17)2-3-8(9)12/h2-4,6H,5H2,1H3,(H,13,15)
InChIKeyNOAVZGMURSGQFZ-UHFFFAOYSA-N
MW260.65 g/mol
LogP2.55
Rot. Bonds4

About 3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide

3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide (PubChem CID 55110565) has the molecular formula C10H10ClFN2O3 and a molecular weight of 260.65 g/mol. Its IUPAC name is 3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide
PubChem CID55110565
Molecular FormulaC10H10ClFN2O3
Molecular Weight260.65 g/mol
Exact Mass260.04
IUPAC Name3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide
SMILESCC(CCl)C(=O)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H10ClFN2O3/c1-6(5-11)10(15)13-9-4-7(14(16)17)2-3-8(9)12/h2-4,6H,5H2,1H3,(H,13,15)
InChIKeyNOAVZGMURSGQFZ-UHFFFAOYSA-N
XLogP2.55
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 52.55
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

(2S)-N-(2-fluoro-5-nitrophenyl)-2-methylbutanamide
CID 7270057
N-(2-fluoro-5-nitrophenyl)-2-methylpentanamide
CID 2905787
3-chloro-2-methyl-N-(2-methyl-4-nitrophenyl)propanamide
CID 62726618
3-chloro-N-(2,4-dinitrophenyl)-2-methylpropanamide
CID 62727735
2-amino-N-(2-fluoro-5-nitrophenyl)butanamide
CID 60779876
2-(aminomethyl)-N-(2-fluoro-5-nitrophenyl)butanamide
CID 65225442
3-[(2-fluoro-5-nitrophenyl)carbamoylamino]butanoic acid
CID 61197131
3-(ethylamino)-N-(2-fluoro-4-nitrophenyl)-2-methylpropanamide
CID 62837323
(2S)-2-amino-N-(2-fluoro-5-nitrophenyl)-3,3-dimethylbutanamide
CID 61155225
2-(azetidin-3-yl)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 116674855
2-(2-methylbutanoylamino)-4-nitrobenzoic acid
CID 55177104
(2R)-2-[(2-fluoro-5-nitrophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80757769

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide?
The IUPAC name of 3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide (CID 55110565) is 3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide is CC(CCl)C(=O)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide?
The InChIKey is NOAVZGMURSGQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O3/c1-6(5-11)10(15)13-9-4-7(14(16)17)2-3-8(9)12/h2-4,6H,5H2,1H3,(H,13,15).
What are the key properties of 3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide?
3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide has a molecular weight of 260.65 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide is sourced from PubChem (CID 55110565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).