2-amino-4-bromo-N-ethyl-5-fluorobenzamide

C9H10BrFN2O — CID 130515983

IUPAC2-amino-4-bromo-N-ethyl-5-fluorobenzamide
SMILESCCNC(=O)c1cc(F)c(Br)cc1N
InChIInChI=1S/C9H10BrFN2O/c1-2-13-9(14)5-3-7(11)6(10)4-8(5)12/h3-4H,2,12H2,1H3,(H,13,14)
InChIKeyCTHCQSLJVXKYCV-UHFFFAOYSA-N
MW261.09 g/mol
LogP1.92
Rot. Bonds2

About 2-amino-4-bromo-N-ethyl-5-fluorobenzamide

2-amino-4-bromo-N-ethyl-5-fluorobenzamide (PubChem CID 130515983) has the molecular formula C9H10BrFN2O and a molecular weight of 261.09 g/mol. Its IUPAC name is 2-amino-4-bromo-N-ethyl-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-ethyl-5-fluorobenzamide
PubChem CID130515983
Molecular FormulaC9H10BrFN2O
Molecular Weight261.09 g/mol
Exact Mass260.00
IUPAC Name2-amino-4-bromo-N-ethyl-5-fluorobenzamide
SMILESCCNC(=O)c1cc(F)c(Br)cc1N
InChIInChI=1S/C9H10BrFN2O/c1-2-13-9(14)5-3-7(11)6(10)4-8(5)12/h3-4H,2,12H2,1H3,(H,13,14)
InChIKeyCTHCQSLJVXKYCV-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-4-bromo-N-ethyl-5-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
methyl 2-amino-4-bromo-5-fluorobenzoate;hydrochloride
CID 91647667
4-bromo-2,5-difluoro-N-propylbenzamide
CID 146035179
2-amino-N-ethyl-5-(fluoromethyl)benzamide
CID 89164524
4-amino-2-(3-bromo-4-fluoroanilino)-N-ethylbenzamide
CID 104775654
6-(2-amino-4-bromo-5-fluorophenoxy)-N-ethylpyridazine-3-carboxamide
CID 103483857
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
pentan-2-yl 2-amino-4-bromo-5-fluorobenzoate
CID 114278221
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride
CID 146196960
2-amino-N-ethyl-4-nitrobenzamide
CID 71534016
2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide
CID 65039606

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-ethyl-5-fluorobenzamide?
The IUPAC name of 2-amino-4-bromo-N-ethyl-5-fluorobenzamide (CID 130515983) is 2-amino-4-bromo-N-ethyl-5-fluorobenzamide.
What is the SMILES notation for 2-amino-4-bromo-N-ethyl-5-fluorobenzamide?
The canonical SMILES for 2-amino-4-bromo-N-ethyl-5-fluorobenzamide is CCNC(=O)c1cc(F)c(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-ethyl-5-fluorobenzamide?
The InChIKey is CTHCQSLJVXKYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O/c1-2-13-9(14)5-3-7(11)6(10)4-8(5)12/h3-4H,2,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-4-bromo-N-ethyl-5-fluorobenzamide?
2-amino-4-bromo-N-ethyl-5-fluorobenzamide has a molecular weight of 261.09 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-ethyl-5-fluorobenzamide is sourced from PubChem (CID 130515983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).