4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide

C12H12Br2FNO — CID 114315887

IUPAC4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide
SMILESO=C(NCC(Br)C1CC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H12Br2FNO/c13-9-4-3-8(5-11(9)15)12(17)16-6-10(14)7-1-2-7/h3-5,7,10H,1-2,6H2,(H,16,17)
InChIKeyHMPSDZXWWHOARL-UHFFFAOYSA-N
MW365.04 g/mol
LogP3.49
Rot. Bonds4

About 4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide

4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide (PubChem CID 114315887) has the molecular formula C12H12Br2FNO and a molecular weight of 365.04 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide
PubChem CID114315887
Molecular FormulaC12H12Br2FNO
Molecular Weight365.04 g/mol
Exact Mass362.93
IUPAC Name4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide
SMILESO=C(NCC(Br)C1CC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H12Br2FNO/c13-9-4-3-8(5-11(9)15)12(17)16-6-10(14)7-1-2-7/h3-5,7,10H,1-2,6H2,(H,16,17)
InChIKeyHMPSDZXWWHOARL-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.04
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-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

N-(2-bromo-2-cyclopropylethyl)-3-fluoro-4-methylbenzamide
CID 114315854
4-bromo-N-(dicyclopropylmethyl)-3-fluorobenzamide
CID 47421971
4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030765
4-bromo-N-(2-bromo-2-cyclopropylethyl)-2,6-difluorobenzamide
CID 114315907
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide
CID 114375801
N-(2-amino-1-cyclopropylethyl)-4-bromo-3-fluorobenzamide
CID 65188732
N-(2-bromo-2-cyclopropylethyl)-4-tert-butylbenzamide
CID 114315768
N-(2-bromo-2-cyclopropylethyl)-3-chlorobenzamide
CID 114315975
4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide
CID 115759502
N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide
CID 64540601
4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122391
4-bromo-N-(2,2-diethoxyethyl)-3-fluorobenzamide
CID 79547974

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide (CID 114315887) is 4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide is O=C(NCC(Br)C1CC1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide?
The InChIKey is HMPSDZXWWHOARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2FNO/c13-9-4-3-8(5-11(9)15)12(17)16-6-10(14)7-1-2-7/h3-5,7,10H,1-2,6H2,(H,16,17).
What are the key properties of 4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide?
4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide has a molecular weight of 365.04 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide is sourced from PubChem (CID 114315887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).