N-benzyl-3-bromobenzamide

C14H12BrNO — CID 787882

IUPACN-benzyl-3-bromobenzamide
SMILESO=C(NCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C14H12BrNO/c15-13-8-4-7-12(9-13)14(17)16-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,16,17)
InChIKeyWWABSNAGARGAQD-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.38
Rot. Bonds3

About N-benzyl-3-bromobenzamide

N-benzyl-3-bromobenzamide (PubChem CID 787882) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is N-benzyl-3-bromobenzamide.

Molecular Properties

Compound NameN-benzyl-3-bromobenzamide
PubChem CID787882
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC NameN-benzyl-3-bromobenzamide
SMILESO=C(NCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C14H12BrNO/c15-13-8-4-7-12(9-13)14(17)16-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,16,17)
InChIKeyWWABSNAGARGAQD-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Propylbenzamide
CID 25354
N-Ethylbenzamide
CID 11959
N-Butylbenzamide
CID 76024
N-Benzoylbenzylamine
CID 73878
2-Bromohippuric acid
CID 133721
5-Bromo-1,2-dihydroisoquinolin-1-one
CID 10466183
3-bromo-N-propylbenzamide
CID 3118655
N-Phenethylbenzamide
CID 95083
N-Cyclohexylbenzamide
CID 15657
N-(2-aminoethyl)-4-bromobenzamide
CID 10847785
4-bromo-N,N-dimethylbenzamide
CID 140389
2-Bromo-N-methylbenzamide
CID 264945

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-bromobenzamide?
The IUPAC name of N-benzyl-3-bromobenzamide (CID 787882) is N-benzyl-3-bromobenzamide.
What is the SMILES notation for N-benzyl-3-bromobenzamide?
The canonical SMILES for N-benzyl-3-bromobenzamide is O=C(NCc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of N-benzyl-3-bromobenzamide?
The InChIKey is WWABSNAGARGAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c15-13-8-4-7-12(9-13)14(17)16-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,16,17).
What are the key properties of N-benzyl-3-bromobenzamide?
N-benzyl-3-bromobenzamide has a molecular weight of 290.16 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-bromobenzamide is sourced from PubChem (CID 787882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).