2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide

C15H12Br2ClNO — CID 114370543

IUPAC2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C15H12Br2ClNO/c1-19(9-10-3-2-4-12(18)7-10)15(20)13-8-11(16)5-6-14(13)17/h2-8H,9H2,1H3
InChIKeyGFJJKUFGPFXQHW-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.14
Rot. Bonds3

About 2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide

2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide (PubChem CID 114370543) has the molecular formula C15H12Br2ClNO and a molecular weight of 417.53 g/mol. Its IUPAC name is 2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
PubChem CID114370543
Molecular FormulaC15H12Br2ClNO
Molecular Weight417.53 g/mol
Exact Mass414.90
IUPAC Name2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C15H12Br2ClNO/c1-19(9-10-3-2-4-12(18)7-10)15(20)13-8-11(16)5-6-14(13)17/h2-8H,9H2,1H3
InChIKeyGFJJKUFGPFXQHW-UHFFFAOYSA-N
XLogP5.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 114371373
2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide
CID 60736552
4-bromo-N-[(3-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 26893018
3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 107999288
5-amino-N-[(3-chlorophenyl)methyl]-N,2,4-trimethylbenzamide
CID 102705155
2-amino-3-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 115540200
5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 65309798
N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 78771235
5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide
CID 61139486
2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide
CID 115540438
2,5-dibromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 114372600
5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 61118192

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide (CID 114370543) is 2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide is CN(Cc1cccc(Cl)c1)C(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide?
The InChIKey is GFJJKUFGPFXQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2ClNO/c1-19(9-10-3-2-4-12(18)7-10)15(20)13-8-11(16)5-6-14(13)17/h2-8H,9H2,1H3.
What are the key properties of 2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide?
2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide has a molecular weight of 417.53 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 114370543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).