2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide

C15H12Br2FNO — CID 60736552

IUPAC2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C15H12Br2FNO/c1-19(9-10-3-2-4-11(16)7-10)15(20)13-8-12(18)5-6-14(13)17/h2-8H,9H2,1H3
InChIKeyNSIQWYVCGZWMNB-UHFFFAOYSA-N
MW401.07 g/mol
LogP4.62
Rot. Bonds3

About 2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide

2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide (PubChem CID 60736552) has the molecular formula C15H12Br2FNO and a molecular weight of 401.07 g/mol. Its IUPAC name is 2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide
PubChem CID60736552
Molecular FormulaC15H12Br2FNO
Molecular Weight401.07 g/mol
Exact Mass398.93
IUPAC Name2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C15H12Br2FNO/c1-19(9-10-3-2-4-11(16)7-10)15(20)13-8-12(18)5-6-14(13)17/h2-8H,9H2,1H3
InChIKeyNSIQWYVCGZWMNB-UHFFFAOYSA-N
XLogP4.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.07
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide 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

2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60667390
2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 114370543
N-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79770462
2-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62660187
2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 114371373
2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
CID 107982324
2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide
CID 106852279
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18112106
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61378055
N-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide
CID 62686241
2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide
CID 115540438

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide?
The IUPAC name of 2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide (CID 60736552) is 2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide?
The canonical SMILES for 2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide is CN(Cc1cccc(Br)c1)C(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide?
The InChIKey is NSIQWYVCGZWMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2FNO/c1-19(9-10-3-2-4-11(16)7-10)15(20)13-8-12(18)5-6-14(13)17/h2-8H,9H2,1H3.
What are the key properties of 2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide?
2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide has a molecular weight of 401.07 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide is sourced from PubChem (CID 60736552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).