N-benzoyl-3-bromobenzamide

C14H10BrNO2 — CID 118577200

IUPACN-benzoyl-3-bromobenzamide
SMILESO=C(NC(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C14H10BrNO2/c15-12-8-4-7-11(9-12)14(18)16-13(17)10-5-2-1-3-6-10/h1-9H,(H,16,17,18)
InChIKeyLFYPAGCUBMTIBD-UHFFFAOYSA-N
MW304.14 g/mol
LogP3.02
Rot. Bonds2

About N-benzoyl-3-bromobenzamide

N-benzoyl-3-bromobenzamide (PubChem CID 118577200) has the molecular formula C14H10BrNO2 and a molecular weight of 304.14 g/mol. Its IUPAC name is N-benzoyl-3-bromobenzamide.

Molecular Properties

Compound NameN-benzoyl-3-bromobenzamide
PubChem CID118577200
Molecular FormulaC14H10BrNO2
Molecular Weight304.14 g/mol
Exact Mass302.99
IUPAC NameN-benzoyl-3-bromobenzamide
SMILESO=C(NC(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C14H10BrNO2/c15-12-8-4-7-11(9-12)14(18)16-13(17)10-5-2-1-3-6-10/h1-9H,(H,16,17,18)
InChIKeyLFYPAGCUBMTIBD-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
3-bromo-N-(3-methylbut-2-en-2-yl)benzamide
CID 134550812
3-bromo-N-[(Z)-[(2E)-2-hydroxyimino-1-phenylethylidene]amino]benzamide
CID 135642241
3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6872195
N'-(benzenesulfonyl)-3-bromobenzohydrazide
CID 1035450
2-[2-[(3-bromobenzoyl)amino]phenyl]acetic acid
CID 62537049
2-[(3-bromobenzoyl)amino]-2-methylpropanoic acid
CID 61262617
3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
3-bromobenzoic acid;ethane
CID 143530590
3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide
CID 63523704
N'-[(Z)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide
CID 5369633
2-[2-[(3-bromobenzoyl)amino]ethylcarbamoyl]benzoic acid
CID 113083357

Frequently Asked Questions

What is the IUPAC name of N-benzoyl-3-bromobenzamide?
The IUPAC name of N-benzoyl-3-bromobenzamide (CID 118577200) is N-benzoyl-3-bromobenzamide.
What is the SMILES notation for N-benzoyl-3-bromobenzamide?
The canonical SMILES for N-benzoyl-3-bromobenzamide is O=C(NC(=O)c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of N-benzoyl-3-bromobenzamide?
The InChIKey is LFYPAGCUBMTIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2/c15-12-8-4-7-11(9-12)14(18)16-13(17)10-5-2-1-3-6-10/h1-9H,(H,16,17,18).
What are the key properties of N-benzoyl-3-bromobenzamide?
N-benzoyl-3-bromobenzamide has a molecular weight of 304.14 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-3-bromobenzamide is sourced from PubChem (CID 118577200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).