3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide

C15H13Br2NO — CID 31145203

IUPAC3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1cccc(Br)c1
InChIInChI=1S/C15H13Br2NO/c1-18(10-11-5-7-13(16)8-6-11)15(19)12-3-2-4-14(17)9-12/h2-9H,10H2,1H3
InChIKeyRSONUPICVXPGCU-UHFFFAOYSA-N
MW383.08 g/mol
LogP4.48
Rot. Bonds3

About 3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide

3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide (PubChem CID 31145203) has the molecular formula C15H13Br2NO and a molecular weight of 383.08 g/mol. Its IUPAC name is 3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
PubChem CID31145203
Molecular FormulaC15H13Br2NO
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1cccc(Br)c1
InChIInChI=1S/C15H13Br2NO/c1-18(10-11-5-7-13(16)8-6-11)15(19)12-3-2-4-14(17)9-12/h2-9H,10H2,1H3
InChIKeyRSONUPICVXPGCU-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.08
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47180891
N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide
CID 43458071
N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide
CID 43346454
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
CID 60628401
3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695423
N-[3-[(4-bromophenyl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 32758172
3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 9108801
N-[(4-bromophenyl)methyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 31145157
3-bromo-N-methyl-N-(2-methylpropyl)benzamide
CID 43243440

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide (CID 31145203) is 3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide is CN(Cc1ccc(Br)cc1)C(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide?
The InChIKey is RSONUPICVXPGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO/c1-18(10-11-5-7-13(16)8-6-11)15(19)12-3-2-4-14(17)9-12/h2-9H,10H2,1H3.
What are the key properties of 3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide?
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide has a molecular weight of 383.08 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 31145203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).