3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide

C15H12BrCl2NO — CID 60628619

IUPAC3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(Br)c1
InChIInChI=1S/C15H12BrCl2NO/c1-19(9-11-5-6-13(17)8-14(11)18)15(20)10-3-2-4-12(16)7-10/h2-8H,9H2,1H3
InChIKeyRMUSXKSBZSFSBD-UHFFFAOYSA-N
MW373.08 g/mol
LogP5.03
Rot. Bonds3

About 3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide

3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide (PubChem CID 60628619) has the molecular formula C15H12BrCl2NO and a molecular weight of 373.08 g/mol. Its IUPAC name is 3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
PubChem CID60628619
Molecular FormulaC15H12BrCl2NO
Molecular Weight373.08 g/mol
Exact Mass370.95
IUPAC Name3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(Br)c1
InChIInChI=1S/C15H12BrCl2NO/c1-19(9-11-5-6-13(17)8-14(11)18)15(20)10-3-2-4-12(16)7-10/h2-8H,9H2,1H3
InChIKeyRMUSXKSBZSFSBD-UHFFFAOYSA-N
XLogP5.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.08
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide (CID 60628619) is 3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide is CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide?
The InChIKey is RMUSXKSBZSFSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO/c1-19(9-11-5-6-13(17)8-14(11)18)15(20)10-3-2-4-12(16)7-10/h2-8H,9H2,1H3.
What are the key properties of 3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide?
3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide has a molecular weight of 373.08 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 60628619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).