3-bromo-N-(3-chloro-2-methylphenyl)benzamide

C14H11BrClNO — CID 765021

IUPAC3-bromo-N-(3-chloro-2-methylphenyl)benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H11BrClNO/c1-9-12(16)6-3-7-13(9)17-14(18)10-4-2-5-11(15)8-10/h2-8H,1H3,(H,17,18)
InChIKeyUEVZGRBCYWBEOR-UHFFFAOYSA-N
MW324.61 g/mol
LogP4.66
Rot. Bonds2

About 3-bromo-N-(3-chloro-2-methylphenyl)benzamide

3-bromo-N-(3-chloro-2-methylphenyl)benzamide (PubChem CID 765021) has the molecular formula C14H11BrClNO and a molecular weight of 324.61 g/mol. Its IUPAC name is 3-bromo-N-(3-chloro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(3-chloro-2-methylphenyl)benzamide
PubChem CID765021
Molecular FormulaC14H11BrClNO
Molecular Weight324.61 g/mol
Exact Mass322.97
IUPAC Name3-bromo-N-(3-chloro-2-methylphenyl)benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H11BrClNO/c1-9-12(16)6-3-7-13(9)17-14(18)10-4-2-5-11(15)8-10/h2-8H,1H3,(H,17,18)
InChIKeyUEVZGRBCYWBEOR-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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Related Compounds

N-(3-Chlorophenyl)benzamide
CID 95833
4'-Bromo-2-chlorobenzanilide
CID 221829
3'-Chloro-M-toluanilide
CID 531963
2-amino-N-(3-chlorophenyl)benzamide
CID 720859
N-(3-chlorophenyl)-3-fluorobenzamide
CID 532008
4-chloro-N-(3-chlorophenyl)benzamide
CID 346674
2-chloro-N-(3-chlorophenyl)benzamide
CID 347063
2-bromo-N-(3-chlorophenyl)benzamide
CID 532188
N-(4-bromophenyl)-2-(3-chlorophenyl)acetamide
CID 758119
N-(3-Chloro-4-fluorophenyl)benzamide
CID 569594
3-bromo-N-(3-chlorophenyl)benzamide
CID 531997
3-Chloro-N-(3-chlorophenyl)benzamide
CID 275109

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chloro-2-methylphenyl)benzamide?
The IUPAC name of 3-bromo-N-(3-chloro-2-methylphenyl)benzamide (CID 765021) is 3-bromo-N-(3-chloro-2-methylphenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(3-chloro-2-methylphenyl)benzamide?
The canonical SMILES for 3-bromo-N-(3-chloro-2-methylphenyl)benzamide is Cc1c(Cl)cccc1NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(3-chloro-2-methylphenyl)benzamide?
The InChIKey is UEVZGRBCYWBEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO/c1-9-12(16)6-3-7-13(9)17-14(18)10-4-2-5-11(15)8-10/h2-8H,1H3,(H,17,18).
What are the key properties of 3-bromo-N-(3-chloro-2-methylphenyl)benzamide?
3-bromo-N-(3-chloro-2-methylphenyl)benzamide 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 3-bromo-N-(3-chloro-2-methylphenyl)benzamide is sourced from PubChem (CID 765021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).