4-bromo-N'-[3-(3-chlorophenyl)propanoyl]benzohydrazide

C16H14BrClN2O2 — CID 78829690

IUPAC4-bromo-N'-[3-(3-chlorophenyl)propanoyl]benzohydrazide
SMILESO=C(CCc1cccc(Cl)c1)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrClN2O2/c17-13-7-5-12(6-8-13)16(22)20-19-15(21)9-4-11-2-1-3-14(18)10-11/h1-3,5-8,10H,4,9H2,(H,19,21)(H,20,22)
InChIKeyFKMBZGHUAUQFSR-UHFFFAOYSA-N
MW381.66 g/mol
LogP3.50
Rot. Bonds4

About 4-bromo-N'-[3-(3-chlorophenyl)propanoyl]benzohydrazide

4-bromo-N'-[3-(3-chlorophenyl)propanoyl]benzohydrazide (PubChem CID 78829690) has the molecular formula C16H14BrClN2O2 and a molecular weight of 381.66 g/mol. Its IUPAC name is 4-bromo-N'-[3-(3-chlorophenyl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[3-(3-chlorophenyl)propanoyl]benzohydrazide
PubChem CID78829690
Molecular FormulaC16H14BrClN2O2
Molecular Weight381.66 g/mol
Exact Mass379.99
IUPAC Name4-bromo-N'-[3-(3-chlorophenyl)propanoyl]benzohydrazide
SMILESO=C(CCc1cccc(Cl)c1)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrClN2O2/c17-13-7-5-12(6-8-13)16(22)20-19-15(21)9-4-11-2-1-3-14(18)10-11/h1-3,5-8,10H,4,9H2,(H,19,21)(H,20,22)
InChIKeyFKMBZGHUAUQFSR-UHFFFAOYSA-N
XLogP3.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.66
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide
CID 1407353
N'-[3-(3-chlorophenyl)propanoyl]-2-fluorobenzohydrazide
CID 51277577
4-bromo-N'-(2-phenylacetyl)benzohydrazide
CID 2304118
N'-[3-(3-fluorophenyl)propanoyl]benzohydrazide
CID 25326926
4-[2-(4-bromobenzoyl)hydrazinyl]-4-oxobutanoic acid
CID 3155815
3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
CID 24726034
4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide
CID 78876899
N'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide
CID 78774211
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide
CID 54790834
N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide
CID 30043506
4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide
CID 26912197

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[3-(3-chlorophenyl)propanoyl]benzohydrazide?
The IUPAC name of 4-bromo-N'-[3-(3-chlorophenyl)propanoyl]benzohydrazide (CID 78829690) is 4-bromo-N'-[3-(3-chlorophenyl)propanoyl]benzohydrazide.
What is the SMILES notation for 4-bromo-N'-[3-(3-chlorophenyl)propanoyl]benzohydrazide?
The canonical SMILES for 4-bromo-N'-[3-(3-chlorophenyl)propanoyl]benzohydrazide is O=C(CCc1cccc(Cl)c1)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-[3-(3-chlorophenyl)propanoyl]benzohydrazide?
The InChIKey is FKMBZGHUAUQFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O2/c17-13-7-5-12(6-8-13)16(22)20-19-15(21)9-4-11-2-1-3-14(18)10-11/h1-3,5-8,10H,4,9H2,(H,19,21)(H,20,22).
What are the key properties of 4-bromo-N'-[3-(3-chlorophenyl)propanoyl]benzohydrazide?
4-bromo-N'-[3-(3-chlorophenyl)propanoyl]benzohydrazide has a molecular weight of 381.66 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[3-(3-chlorophenyl)propanoyl]benzohydrazide is sourced from PubChem (CID 78829690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).