2-amino-5-bromo-3-fluoro-N-methylbenzamide

C8H8BrFN2O — CID 67263746

IUPAC2-amino-5-bromo-3-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(Br)cc(F)c1N
InChIInChI=1S/C8H8BrFN2O/c1-12-8(13)5-2-4(9)3-6(10)7(5)11/h2-3H,11H2,1H3,(H,12,13)
InChIKeyWSXNKYYDPBLOBW-UHFFFAOYSA-N
MW247.07 g/mol
LogP1.53
Rot. Bonds1

About 2-amino-5-bromo-3-fluoro-N-methylbenzamide

2-amino-5-bromo-3-fluoro-N-methylbenzamide (PubChem CID 67263746) has the molecular formula C8H8BrFN2O and a molecular weight of 247.07 g/mol. Its IUPAC name is 2-amino-5-bromo-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-5-bromo-3-fluoro-N-methylbenzamide
PubChem CID67263746
Molecular FormulaC8H8BrFN2O
Molecular Weight247.07 g/mol
Exact Mass245.98
IUPAC Name2-amino-5-bromo-3-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(Br)cc(F)c1N
InChIInChI=1S/C8H8BrFN2O/c1-12-8(13)5-2-4(9)3-6(10)7(5)11/h2-3H,11H2,1H3,(H,12,13)
InChIKeyWSXNKYYDPBLOBW-UHFFFAOYSA-N
XLogP1.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.07
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-fluoro-N-methylpyridine-3-carboxamide
CID 74890483
2-amino-3-bromo-5-iodo-N-methylbenzamide
CID 169154899
6-bromo-8-fluoro-N-methylquinoline-4-carboxamide
CID 164570300
2-amino-3,5-dibromo-N-hydroxybenzamide
CID 13097908
5-amino-4-fluoro-N,2-dimethylbenzamide
CID 130507342
4-amino-3-(4-bromo-2,6-difluoroanilino)-N-methylbenzamide
CID 65468692
3-amino-5-bromo-N-(3,4-difluorophenyl)-2-methylbenzamide
CID 107872055
2,3,5-trifluoro-N-methylbenzamide
CID 58656809
3-amino-2-chloro-N,6-dimethylpyridine-4-carboxamide
CID 169154520
4-amino-2-fluoro-5-methoxy-N-methylbenzamide
CID 89121907
5-bromo-N-methyl-2-(methylamino)benzamide
CID 130751837
2-amino-5-bromo-N-ethyl-3-methylbenzamide
CID 169100332

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-3-fluoro-N-methylbenzamide?
The IUPAC name of 2-amino-5-bromo-3-fluoro-N-methylbenzamide (CID 67263746) is 2-amino-5-bromo-3-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-amino-5-bromo-3-fluoro-N-methylbenzamide?
The canonical SMILES for 2-amino-5-bromo-3-fluoro-N-methylbenzamide is CNC(=O)c1cc(Br)cc(F)c1N.
What is the InChIKey of 2-amino-5-bromo-3-fluoro-N-methylbenzamide?
The InChIKey is WSXNKYYDPBLOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2O/c1-12-8(13)5-2-4(9)3-6(10)7(5)11/h2-3H,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-5-bromo-3-fluoro-N-methylbenzamide?
2-amino-5-bromo-3-fluoro-N-methylbenzamide has a molecular weight of 247.07 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 67263746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).