N-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide

C20H22ClN3O3 — CID 17179143

IUPACN-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide
SMILESO=C(CCC(=O)NNC(=O)CCc1ccccc1Cl)NCc1ccccc1
InChIInChI=1S/C20H22ClN3O3/c21-17-9-5-4-8-16(17)10-11-19(26)23-24-20(27)13-12-18(25)22-14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,22,25)(H,23,26)(H,24,27)
InChIKeyXBMBFTZUSZFJDL-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.52
Rot. Bonds8

About N-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide

N-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide (PubChem CID 17179143) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide
PubChem CID17179143
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide
SMILESO=C(CCC(=O)NNC(=O)CCc1ccccc1Cl)NCc1ccccc1
InChIInChI=1S/C20H22ClN3O3/c21-17-9-5-4-8-16(17)10-11-19(26)23-24-20(27)13-12-18(25)22-14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,22,25)(H,23,26)(H,24,27)
InChIKeyXBMBFTZUSZFJDL-UHFFFAOYSA-N
XLogP2.52
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 38089852
N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide
CID 94279919
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
N-benzyl-3-(2-hydroxyphenyl)propanamide
CID 3438013
N'-[3-(2-chlorophenyl)propanoyl]furan-2-carbohydrazide
CID 29436828
3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391345
N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide
CID 17179113
N-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide
CID 3359263
N-benzyl-4-oxo-4-[2-(3-phenylpropanoylcarbamothioyl)hydrazinyl]butanamide
CID 5089637
4-(2-chlorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]butanamide
CID 110625400
3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide
CID 36913411
N-benzyl-3-[[N-[(2-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111175520

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide (CID 17179143) is N-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide is O=C(CCC(=O)NNC(=O)CCc1ccccc1Cl)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide?
The InChIKey is XBMBFTZUSZFJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c21-17-9-5-4-8-16(17)10-11-19(26)23-24-20(27)13-12-18(25)22-14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide?
N-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide has a molecular weight of 387.87 g/mol, XLogP of 2.52, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 17179143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).