N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide

C20H16ClN3O2 — CID 9314013

IUPACN'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide
SMILESO=C(/C=C/c1ccccc1Cl)NNC(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C20H16ClN3O2/c21-17-9-3-1-7-15(17)11-12-19(25)22-23-20(26)16-8-2-4-10-18(16)24-13-5-6-14-24/h1-14H,(H,22,25)(H,23,26)/b12-11+
InChIKeyFYWLKMZIBOJHIC-VAWYXSNFSA-N
MW365.82 g/mol
LogP3.61
Rot. Bonds4

About N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide

N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide (PubChem CID 9314013) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide
PubChem CID9314013
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC NameN'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide
SMILESO=C(/C=C/c1ccccc1Cl)NNC(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C20H16ClN3O2/c21-17-9-3-1-7-15(17)11-12-19(25)22-23-20(26)16-8-2-4-10-18(16)24-13-5-6-14-24/h1-14H,(H,22,25)(H,23,26)/b12-11+
InChIKeyFYWLKMZIBOJHIC-VAWYXSNFSA-N
XLogP3.61
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.61
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'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide 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

2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9339631
N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide
CID 9314025
4-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide
CID 6133133
N'-[3-(2-chlorophenyl)prop-2-enoyl]-2-phenylmethoxybenzohydrazide
CID 4937960
N'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide
CID 9314043
5-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide
CID 24636069
N'-(3-methylbenzoyl)-2-pyrrol-1-ylbenzohydrazide
CID 1481245
N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 4628576
N-[4-[[3-(2-chlorophenyl)prop-2-enoylamino]carbamoyl]phenyl]acetamide
CID 4506938
N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-chlorobenzohydrazide
CID 9339315
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 6133004
(E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one
CID 5388429

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide?
The IUPAC name of N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide (CID 9314013) is N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide?
The canonical SMILES for N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide is O=C(/C=C/c1ccccc1Cl)NNC(=O)c1ccccc1-n1cccc1.
What is the InChIKey of N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide?
The InChIKey is FYWLKMZIBOJHIC-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c21-17-9-3-1-7-15(17)11-12-19(25)22-23-20(26)16-8-2-4-10-18(16)24-13-5-6-14-24/h1-14H,(H,22,25)(H,23,26)/b12-11+.
What are the key properties of N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide?
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide has a molecular weight of 365.82 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide is sourced from PubChem (CID 9314013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).