N'-[2-(4-chlorophenyl)acetyl]-1-prop-2-enoylpyrrolidine-3-carbohydrazide

C16H18ClN3O3 — CID 166420916

IUPACN'-[2-(4-chlorophenyl)acetyl]-1-prop-2-enoylpyrrolidine-3-carbohydrazide
SMILESC=CC(=O)N1CCC(C(=O)NNC(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H18ClN3O3/c1-2-15(22)20-8-7-12(10-20)16(23)19-18-14(21)9-11-3-5-13(17)6-4-11/h2-6,12H,1,7-10H2,(H,18,21)(H,19,23)
InChIKeyURYJDURTTRMMRB-UHFFFAOYSA-N
MW335.79 g/mol
LogP1.06
Rot. Bonds4

About N'-[2-(4-chlorophenyl)acetyl]-1-prop-2-enoylpyrrolidine-3-carbohydrazide

N'-[2-(4-chlorophenyl)acetyl]-1-prop-2-enoylpyrrolidine-3-carbohydrazide (PubChem CID 166420916) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-1-prop-2-enoylpyrrolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-1-prop-2-enoylpyrrolidine-3-carbohydrazide
PubChem CID166420916
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-1-prop-2-enoylpyrrolidine-3-carbohydrazide
SMILESC=CC(=O)N1CCC(C(=O)NNC(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H18ClN3O3/c1-2-15(22)20-8-7-12(10-20)16(23)19-18-14(21)9-11-3-5-13(17)6-4-11/h2-6,12H,1,7-10H2,(H,18,21)(H,19,23)
InChIKeyURYJDURTTRMMRB-UHFFFAOYSA-N
XLogP1.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2-(4-chlorophenyl)acetyl]-1-prop-2-enoylpyrrolidine-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide
CID 4938227
N'-[2-(4-chlorophenyl)acetyl]cyclopentanecarbohydrazide
CID 26657650
N'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 46411290
(3S)-N-benzyl-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 170709592
N-[3-(4-chlorophenyl)pentan-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405560
N'-(2-chloro-6-fluorobenzoyl)-1-prop-2-enoylpiperidine-3-carbohydrazide
CID 166413000
N-[1-(4-chlorophenyl)cyclopentyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166413024
N'-(2-chloroacetyl)-2-(4-chlorophenyl)acetohydrazide
CID 82121554
6-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 4744770
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
N-(2-methylpropyl)-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 169079209
1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone
CID 110477076

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-1-prop-2-enoylpyrrolidine-3-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-1-prop-2-enoylpyrrolidine-3-carbohydrazide (CID 166420916) is N'-[2-(4-chlorophenyl)acetyl]-1-prop-2-enoylpyrrolidine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-1-prop-2-enoylpyrrolidine-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-1-prop-2-enoylpyrrolidine-3-carbohydrazide is C=CC(=O)N1CCC(C(=O)NNC(=O)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-1-prop-2-enoylpyrrolidine-3-carbohydrazide?
The InChIKey is URYJDURTTRMMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-2-15(22)20-8-7-12(10-20)16(23)19-18-14(21)9-11-3-5-13(17)6-4-11/h2-6,12H,1,7-10H2,(H,18,21)(H,19,23).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-1-prop-2-enoylpyrrolidine-3-carbohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-1-prop-2-enoylpyrrolidine-3-carbohydrazide has a molecular weight of 335.79 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]-1-prop-2-enoylpyrrolidine-3-carbohydrazide is sourced from PubChem (CID 166420916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).