3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide

C14H12BrN3O2 — CID 4101681

IUPAC3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide
SMILESNNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H12BrN3O2/c15-10-5-3-4-9(8-10)13(19)17-12-7-2-1-6-11(12)14(20)18-16/h1-8H,16H2,(H,17,19)(H,18,20)
InChIKeyONRKMIHSEWPNQG-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.30
Rot. Bonds3

About 3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide

3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide (PubChem CID 4101681) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide
PubChem CID4101681
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide
SMILESNNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H12BrN3O2/c15-10-5-3-4-9(8-10)13(19)17-12-7-2-1-6-11(12)14(20)18-16/h1-8H,16H2,(H,17,19)(H,18,20)
InChIKeyONRKMIHSEWPNQG-UHFFFAOYSA-N
XLogP2.30
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromobenzoyl)amino]-N-phenylbenzamide
CID 54790950
2-[2-[(3-bromobenzoyl)amino]phenyl]acetic acid
CID 62537049
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CID 54790772
2-[(3-bromobenzoyl)amino]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 112834396
3-bromo-N-(4-bromo-2-carbamothioylphenyl)benzamide
CID 82703358
3-bromo-N-(2-phenylmethoxyphenyl)benzamide
CID 54790844
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-bromobenzamide
CID 7670731
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide
CID 64793442
3-bromo-N-(5-bromo-2-carbamothioylphenyl)benzamide
CID 107798682
2-bromo-N-[2-(3-bromobenzoyl)phenyl]acetamide
CID 150212976
N'-(2,6-dibromophenyl)-N-[2-(hydrazinecarbonyl)phenyl]oxamide
CID 19845065

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide (CID 4101681) is 3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide is NNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide?
The InChIKey is ONRKMIHSEWPNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c15-10-5-3-4-9(8-10)13(19)17-12-7-2-1-6-11(12)14(20)18-16/h1-8H,16H2,(H,17,19)(H,18,20).
What are the key properties of 3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide?
3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide has a molecular weight of 334.17 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide is sourced from PubChem (CID 4101681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).