N-benzyl-3-[2-(3-chlorobenzoyl)hydrazinyl]propanamide

C17H18ClN3O2 — CID 27394

IUPACN-benzyl-3-[2-(3-chlorobenzoyl)hydrazinyl]propanamide
SMILESO=C(CCNNC(=O)c1cccc(Cl)c1)NCc1ccccc1
InChIInChI=1S/C17H18ClN3O2/c18-15-8-4-7-14(11-15)17(23)21-20-10-9-16(22)19-12-13-5-2-1-3-6-13/h1-8,11,20H,9-10,12H2,(H,19,22)(H,21,23)
InChIKeyZCBCHPDOHRDFDK-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.28
Rot. Bonds7

About N-benzyl-3-[2-(3-chlorobenzoyl)hydrazinyl]propanamide

N-benzyl-3-[2-(3-chlorobenzoyl)hydrazinyl]propanamide (PubChem CID 27394) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-benzyl-3-[2-(3-chlorobenzoyl)hydrazinyl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(3-chlorobenzoyl)hydrazinyl]propanamide
PubChem CID27394
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-benzyl-3-[2-(3-chlorobenzoyl)hydrazinyl]propanamide
SMILESO=C(CCNNC(=O)c1cccc(Cl)c1)NCc1ccccc1
InChIInChI=1S/C17H18ClN3O2/c18-15-8-4-7-14(11-15)17(23)21-20-10-9-16(22)19-12-13-5-2-1-3-6-13/h1-8,11,20H,9-10,12H2,(H,19,22)(H,21,23)
InChIKeyZCBCHPDOHRDFDK-UHFFFAOYSA-N
XLogP2.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Benzamide derivative 11
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Benzamide derivative 8
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4-[[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]amino]methyl]-benzoicacid2-propylhydrazide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(3-chlorobenzoyl)hydrazinyl]propanamide?
The IUPAC name of N-benzyl-3-[2-(3-chlorobenzoyl)hydrazinyl]propanamide (CID 27394) is N-benzyl-3-[2-(3-chlorobenzoyl)hydrazinyl]propanamide.
What is the SMILES notation for N-benzyl-3-[2-(3-chlorobenzoyl)hydrazinyl]propanamide?
The canonical SMILES for N-benzyl-3-[2-(3-chlorobenzoyl)hydrazinyl]propanamide is O=C(CCNNC(=O)c1cccc(Cl)c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[2-(3-chlorobenzoyl)hydrazinyl]propanamide?
The InChIKey is ZCBCHPDOHRDFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-15-8-4-7-14(11-15)17(23)21-20-10-9-16(22)19-12-13-5-2-1-3-6-13/h1-8,11,20H,9-10,12H2,(H,19,22)(H,21,23).
What are the key properties of N-benzyl-3-[2-(3-chlorobenzoyl)hydrazinyl]propanamide?
N-benzyl-3-[2-(3-chlorobenzoyl)hydrazinyl]propanamide has a molecular weight of 331.80 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(3-chlorobenzoyl)hydrazinyl]propanamide is sourced from PubChem (CID 27394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).