N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide

C18H18ClN3O3 — CID 30043506

IUPACN-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCC(=O)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3O3/c19-15-8-4-7-14(12-15)18(25)22-21-16(23)9-10-20-17(24)11-13-5-2-1-3-6-13/h1-8,12H,9-11H2,(H,20,24)(H,21,23)(H,22,25)
InChIKeyZGLQMRTYYACSPU-UHFFFAOYSA-N
MW359.81 g/mol
LogP1.85
Rot. Bonds6

About N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide

N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide (PubChem CID 30043506) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide
PubChem CID30043506
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCC(=O)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3O3/c19-15-8-4-7-14(12-15)18(25)22-21-16(23)9-10-20-17(24)11-13-5-2-1-3-6-13/h1-8,12H,9-11H2,(H,20,24)(H,21,23)(H,22,25)
InChIKeyZGLQMRTYYACSPU-UHFFFAOYSA-N
XLogP1.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 51.85
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-chloro-N'-[2-(4-phenylphenyl)acetyl]benzohydrazide
CID 1367057
3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 27134177
3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide
CID 9475645
3-chloro-N'-[3-(4-chlorophenyl)sulfanylpropanoyl]benzohydrazide
CID 2109098
3-[3-[(2-phenylacetyl)amino]propanoylamino]propanoic acid
CID 119177045
4-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]butanoic acid
CID 43241156
N-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide
CID 33472385
4-bromo-N-[3-oxo-3-[2-(2-phenylacetyl)hydrazinyl]propyl]benzamide
CID 24637598
N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide
CID 965991
4-bromo-N'-[3-(3-chlorophenyl)propanoyl]benzohydrazide
CID 78829690
N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide
CID 7918365
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide?
The IUPAC name of N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide (CID 30043506) is N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide?
The canonical SMILES for N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCCC(=O)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide?
The InChIKey is ZGLQMRTYYACSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c19-15-8-4-7-14(12-15)18(25)22-21-16(23)9-10-20-17(24)11-13-5-2-1-3-6-13/h1-8,12H,9-11H2,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide?
N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide has a molecular weight of 359.81 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide is sourced from PubChem (CID 30043506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).