2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide

C14H10BrFN2O4 — CID 16797089

IUPAC2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H10BrFN2O4/c1-22-13-5-3-9(18(20)21)7-12(13)17-14(19)10-4-2-8(16)6-11(10)15/h2-7H,1H3,(H,17,19)
InChIKeyDKXXSMICLBFCMN-UHFFFAOYSA-N
MW369.15 g/mol
LogP3.76
Rot. Bonds4

About 2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide

2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide (PubChem CID 16797089) has the molecular formula C14H10BrFN2O4 and a molecular weight of 369.15 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide
PubChem CID16797089
Molecular FormulaC14H10BrFN2O4
Molecular Weight369.15 g/mol
Exact Mass367.98
IUPAC Name2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H10BrFN2O4/c1-22-13-5-3-9(18(20)21)7-12(13)17-14(19)10-4-2-8(16)6-11(10)15/h2-7H,1H3,(H,17,19)
InChIKeyDKXXSMICLBFCMN-UHFFFAOYSA-N
XLogP3.76
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.15
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide
CID 9191956
2-[(2-bromo-4-fluorobenzoyl)amino]-5-nitrobenzoic acid
CID 16771403
6-fluoro-N-(2-methoxy-5-nitrophenyl)-2-methylquinoline-4-carboxamide
CID 108789696
2-bromo-4-fluoro-N-(4-nitrophenyl)benzamide
CID 18197888
2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide
CID 1371919
3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 1013418
N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
CID 92556710
2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
CID 55374643
N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide
CID 844979
3-chloro-6-fluoro-N-(2-methoxy-5-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 16959985
2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104848994
5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
CID 43424598

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide (CID 16797089) is 2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide?
The InChIKey is DKXXSMICLBFCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O4/c1-22-13-5-3-9(18(20)21)7-12(13)17-14(19)10-4-2-8(16)6-11(10)15/h2-7H,1H3,(H,17,19).
What are the key properties of 2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide?
2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide has a molecular weight of 369.15 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide is sourced from PubChem (CID 16797089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).