2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide

C10H10BrFN2O3 — CID 114328999

IUPAC2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide
SMILESCC(C)(Br)C(=O)Nc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C10H10BrFN2O3/c1-10(2,11)9(15)13-6-3-4-8(14(16)17)7(12)5-6/h3-5H,1-2H3,(H,13,15)
InChIKeyRLTDRDDCMKONEF-UHFFFAOYSA-N
MW305.10 g/mol
LogP2.85
Rot. Bonds3

About 2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide

2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide (PubChem CID 114328999) has the molecular formula C10H10BrFN2O3 and a molecular weight of 305.10 g/mol. Its IUPAC name is 2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide
PubChem CID114328999
Molecular FormulaC10H10BrFN2O3
Molecular Weight305.10 g/mol
Exact Mass303.99
IUPAC Name2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide
SMILESCC(C)(Br)C(=O)Nc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C10H10BrFN2O3/c1-10(2,11)9(15)13-6-3-4-8(14(16)17)7(12)5-6/h3-5H,1-2H3,(H,13,15)
InChIKeyRLTDRDDCMKONEF-UHFFFAOYSA-N
XLogP2.85
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 52.85
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

N-(3-fluoro-4-nitrophenyl)carbamothioyl chloride
CID 135378563
N-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide
CID 1147566
2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide
CID 114327553
2-amino-3,3,3-trifluoro-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide
CID 79796657
tert-butyl N-[2-[(3-fluoro-4-nitrophenyl)carbamothioylamino]ethyl]carbamate
CID 84554423
5-[(2-bromo-2-methylpropanoyl)amino]-2-fluorobenzoic acid
CID 114327952
N-(3-fluoro-4-nitrophenyl)piperidine-1-carboxamide
CID 116657035
2,2-dimethyl-3-(3-methyl-4-nitroanilino)-3-oxopropanoic acid
CID 82821763
N-(3,4-dimethylphenyl)-3-fluoro-4-nitrobenzamide
CID 62682340
2,4-dibromo-N-(3-fluoro-4-nitrophenyl)benzamide
CID 103886725
2-[2-(3-fluoro-4-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 113427829
2-methoxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CID 3959919

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide (CID 114328999) is 2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide is CC(C)(Br)C(=O)Nc1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of 2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide?
The InChIKey is RLTDRDDCMKONEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O3/c1-10(2,11)9(15)13-6-3-4-8(14(16)17)7(12)5-6/h3-5H,1-2H3,(H,13,15).
What are the key properties of 2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide?
2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide has a molecular weight of 305.10 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide is sourced from PubChem (CID 114328999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).