N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide

C22H19ClN2O2 — CID 17179113

IUPACN'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide
SMILESO=C(CCc1ccccc1Cl)NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19ClN2O2/c23-20-9-5-4-8-18(20)14-15-21(26)24-25-22(27)19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeyHYHLNXOXZVITNQ-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.40
Rot. Bonds5

About N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide

N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide (PubChem CID 17179113) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide
PubChem CID17179113
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC NameN'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide
SMILESO=C(CCc1ccccc1Cl)NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19ClN2O2/c23-20-9-5-4-8-18(20)14-15-21(26)24-25-22(27)19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeyHYHLNXOXZVITNQ-UHFFFAOYSA-N
XLogP4.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.40
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-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]acetamide
CID 17179121
N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 17179166
N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide
CID 94279919
N'-[3-(2-chlorophenyl)propanoyl]pyridine-3-carbohydrazide
CID 30944808
N'-[3-(2-chlorophenyl)propanoyl]furan-2-carbohydrazide
CID 29436828
N-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide
CID 17179143
4-phenyl-N'-(3-piperidin-1-ylpropanoyl)benzohydrazide
CID 9372733
4-[2-[4-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 5120993
N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide
CID 2221364
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide
CID 3267153
N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31464668
N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 9366100

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide?
The IUPAC name of N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide (CID 17179113) is N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide.
What is the SMILES notation for N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide?
The canonical SMILES for N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide is O=C(CCc1ccccc1Cl)NNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide?
The InChIKey is HYHLNXOXZVITNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c23-20-9-5-4-8-18(20)14-15-21(26)24-25-22(27)19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,26)(H,25,27).
What are the key properties of N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide?
N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide has a molecular weight of 378.86 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide is sourced from PubChem (CID 17179113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).