2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide

C16H15Br2NO — CID 107982324

IUPAC2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2cccc(Br)c2)c1Br
InChIInChI=1S/C16H15Br2NO/c1-11-5-3-8-14(15(11)18)16(20)19(2)10-12-6-4-7-13(17)9-12/h3-9H,10H2,1-2H3
InChIKeyLVORXVVBZLBTOB-UHFFFAOYSA-N
MW397.11 g/mol
LogP4.79
Rot. Bonds3

About 2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide

2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide (PubChem CID 107982324) has the molecular formula C16H15Br2NO and a molecular weight of 397.11 g/mol. Its IUPAC name is 2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
PubChem CID107982324
Molecular FormulaC16H15Br2NO
Molecular Weight397.11 g/mol
Exact Mass394.95
IUPAC Name2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2cccc(Br)c2)c1Br
InChIInChI=1S/C16H15Br2NO/c1-11-5-3-8-14(15(11)18)16(20)19(2)10-12-6-4-7-13(17)9-12/h3-9H,10H2,1-2H3
InChIKeyLVORXVVBZLBTOB-UHFFFAOYSA-N
XLogP4.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.11
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide 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-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 103853024
2-bromo-N,3-dimethyl-N-(pyridin-3-ylmethyl)benzamide
CID 103852811
2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide
CID 106852279
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61378055
2-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62660187
N-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79770462
2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide
CID 115540438
2-bromo-N-[(4-cyanophenyl)methyl]-N,3-dimethylbenzamide
CID 103853128
N-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide
CID 61416207
N-[(3-bromophenyl)methyl]-4-hydroxy-N,3-dimethylbenzamide
CID 103956433
2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide
CID 60736552
5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 65309798

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide?
The IUPAC name of 2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide (CID 107982324) is 2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide.
What is the SMILES notation for 2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide?
The canonical SMILES for 2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)Cc2cccc(Br)c2)c1Br.
What is the InChIKey of 2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide?
The InChIKey is LVORXVVBZLBTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO/c1-11-5-3-8-14(15(11)18)16(20)19(2)10-12-6-4-7-13(17)9-12/h3-9H,10H2,1-2H3.
What are the key properties of 2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide?
2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide has a molecular weight of 397.11 g/mol, XLogP of 4.79, 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]-N,3-dimethylbenzamide is sourced from PubChem (CID 107982324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).