2,4-dibromo-N-[(4-cyanophenyl)methyl]-N-methylbenzamide

C16H12Br2N2O — CID 103882406

IUPAC2,4-dibromo-N-[(4-cyanophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C16H12Br2N2O/c1-20(10-12-4-2-11(9-19)3-5-12)16(21)14-7-6-13(17)8-15(14)18/h2-8H,10H2,1H3
InChIKeyAZRCTWIAMVAVCM-UHFFFAOYSA-N
MW408.09 g/mol
LogP4.36
Rot. Bonds3

About 2,4-dibromo-N-[(4-cyanophenyl)methyl]-N-methylbenzamide

2,4-dibromo-N-[(4-cyanophenyl)methyl]-N-methylbenzamide (PubChem CID 103882406) has the molecular formula C16H12Br2N2O and a molecular weight of 408.09 g/mol. Its IUPAC name is 2,4-dibromo-N-[(4-cyanophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[(4-cyanophenyl)methyl]-N-methylbenzamide
PubChem CID103882406
Molecular FormulaC16H12Br2N2O
Molecular Weight408.09 g/mol
Exact Mass405.93
IUPAC Name2,4-dibromo-N-[(4-cyanophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C16H12Br2N2O/c1-20(10-12-4-2-11(9-19)3-5-12)16(21)14-7-6-13(17)8-15(14)18/h2-8H,10H2,1H3
InChIKeyAZRCTWIAMVAVCM-UHFFFAOYSA-N
XLogP4.36
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.09
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(4-cyanophenyl)methyl]-N,3-dimethylbenzamide
CID 103853128
3-bromo-N-[(4-cyanophenyl)methyl]-N,4-dimethylbenzamide
CID 79459673
2-bromo-N-[(4-cyanophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103754344
5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide
CID 103600040
5-amino-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide
CID 61107084
N-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 39858954
N-[(4-cyanophenyl)methyl]-N,2,3-trimethylbenzamide
CID 39858837
5-amino-N-[(4-cyanophenyl)methyl]-2-fluoro-N-methylbenzamide
CID 61105399
2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide
CID 103882559
N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide
CID 60628421
2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 107951738
5-bromo-N-[(4-fluorophenyl)methyl]-2-iodo-N-methylbenzamide
CID 103600097

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(4-cyanophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2,4-dibromo-N-[(4-cyanophenyl)methyl]-N-methylbenzamide (CID 103882406) is 2,4-dibromo-N-[(4-cyanophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2,4-dibromo-N-[(4-cyanophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2,4-dibromo-N-[(4-cyanophenyl)methyl]-N-methylbenzamide is CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[(4-cyanophenyl)methyl]-N-methylbenzamide?
The InChIKey is AZRCTWIAMVAVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N2O/c1-20(10-12-4-2-11(9-19)3-5-12)16(21)14-7-6-13(17)8-15(14)18/h2-8H,10H2,1H3.
What are the key properties of 2,4-dibromo-N-[(4-cyanophenyl)methyl]-N-methylbenzamide?
2,4-dibromo-N-[(4-cyanophenyl)methyl]-N-methylbenzamide has a molecular weight of 408.09 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(4-cyanophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 103882406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).