N-(4-bromo-2-methylphenyl)-3-chlorobenzamide

C14H11BrClNO — CID 798975

IUPACN-(4-bromo-2-methylphenyl)-3-chlorobenzamide
SMILESCc1cc(Br)ccc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H11BrClNO/c1-9-7-11(15)5-6-13(9)17-14(18)10-3-2-4-12(16)8-10/h2-8H,1H3,(H,17,18)
InChIKeyFQWSGALFHVKCQX-UHFFFAOYSA-N
MW324.61 g/mol
LogP4.66
Rot. Bonds2

About N-(4-bromo-2-methylphenyl)-3-chlorobenzamide

N-(4-bromo-2-methylphenyl)-3-chlorobenzamide (PubChem CID 798975) has the molecular formula C14H11BrClNO and a molecular weight of 324.61 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-chlorobenzamide
PubChem CID798975
Molecular FormulaC14H11BrClNO
Molecular Weight324.61 g/mol
Exact Mass322.97
IUPAC NameN-(4-bromo-2-methylphenyl)-3-chlorobenzamide
SMILESCc1cc(Br)ccc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H11BrClNO/c1-9-7-11(15)5-6-13(9)17-14(18)10-3-2-4-12(16)8-10/h2-8H,1H3,(H,17,18)
InChIKeyFQWSGALFHVKCQX-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-chlorobenzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-chlorobenzamide (CID 798975) is N-(4-bromo-2-methylphenyl)-3-chlorobenzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-chlorobenzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-chlorobenzamide is Cc1cc(Br)ccc1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-chlorobenzamide?
The InChIKey is FQWSGALFHVKCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO/c1-9-7-11(15)5-6-13(9)17-14(18)10-3-2-4-12(16)8-10/h2-8H,1H3,(H,17,18).
What are the key properties of N-(4-bromo-2-methylphenyl)-3-chlorobenzamide?
N-(4-bromo-2-methylphenyl)-3-chlorobenzamide has a molecular weight of 324.61 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-3-chlorobenzamide is sourced from PubChem (CID 798975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).