N-(4-anilinophenyl)-3-[2-(2-hydroxybenzoyl)hydrazinyl]but-3-enamide

C23H22N4O3 — CID 4090382

IUPACN-(4-anilinophenyl)-3-[2-(2-hydroxybenzoyl)hydrazinyl]but-3-enamide
SMILESC=C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)NNC(=O)c1ccccc1O
InChIInChI=1S/C23H22N4O3/c1-16(26-27-23(30)20-9-5-6-10-21(20)28)15-22(29)25-19-13-11-18(12-14-19)24-17-7-3-2-4-8-17/h2-14,24,26,28H,1,15H2,(H,25,29)(H,27,30)
InChIKeyZUBROBXWVREEIJ-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.91
Rot. Bonds8

About N-(4-anilinophenyl)-3-[2-(2-hydroxybenzoyl)hydrazinyl]but-3-enamide

N-(4-anilinophenyl)-3-[2-(2-hydroxybenzoyl)hydrazinyl]but-3-enamide (PubChem CID 4090382) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(4-anilinophenyl)-3-[2-(2-hydroxybenzoyl)hydrazinyl]but-3-enamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-3-[2-(2-hydroxybenzoyl)hydrazinyl]but-3-enamide
PubChem CID4090382
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-(4-anilinophenyl)-3-[2-(2-hydroxybenzoyl)hydrazinyl]but-3-enamide
SMILESC=C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)NNC(=O)c1ccccc1O
InChIInChI=1S/C23H22N4O3/c1-16(26-27-23(30)20-9-5-6-10-21(20)28)15-22(29)25-19-13-11-18(12-14-19)24-17-7-3-2-4-8-17/h2-14,24,26,28H,1,15H2,(H,25,29)(H,27,30)
InChIKeyZUBROBXWVREEIJ-UHFFFAOYSA-N
XLogP3.91
TPSA102.49 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-anilinophenyl)-3-[2-(2-hydroxybenzoyl)hydrazinyl]but-3-enamide 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

4-(4-anilinoanilino)-2-methylidene-4-oxobutanoic acid
CID 19795358
2-hydroxy-N-phenylbenzamide
CID 157209959
N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide
CID 4287242
1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide
CID 21348404
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide
CID 30156322
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056
4-[4-[(2-hydroxybenzoyl)carbamoyl]anilino]-4-oxobutanoic acid
CID 71595352
N-[[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]-2-chlorobenzamide
CID 4668020
2-hydroxy-N'-propanoylbenzohydrazide
CID 15893878
4-(4-anilinoanilino)-4-oxobutanoic acid
CID 3582838
3-[2-[2-(2-methylphenoxy)acetyl]hydrazinyl]-N-phenylbut-3-enamide
CID 4582933

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-3-[2-(2-hydroxybenzoyl)hydrazinyl]but-3-enamide?
The IUPAC name of N-(4-anilinophenyl)-3-[2-(2-hydroxybenzoyl)hydrazinyl]but-3-enamide (CID 4090382) is N-(4-anilinophenyl)-3-[2-(2-hydroxybenzoyl)hydrazinyl]but-3-enamide.
What is the SMILES notation for N-(4-anilinophenyl)-3-[2-(2-hydroxybenzoyl)hydrazinyl]but-3-enamide?
The canonical SMILES for N-(4-anilinophenyl)-3-[2-(2-hydroxybenzoyl)hydrazinyl]but-3-enamide is C=C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)NNC(=O)c1ccccc1O.
What is the InChIKey of N-(4-anilinophenyl)-3-[2-(2-hydroxybenzoyl)hydrazinyl]but-3-enamide?
The InChIKey is ZUBROBXWVREEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-16(26-27-23(30)20-9-5-6-10-21(20)28)15-22(29)25-19-13-11-18(12-14-19)24-17-7-3-2-4-8-17/h2-14,24,26,28H,1,15H2,(H,25,29)(H,27,30).
What are the key properties of N-(4-anilinophenyl)-3-[2-(2-hydroxybenzoyl)hydrazinyl]but-3-enamide?
N-(4-anilinophenyl)-3-[2-(2-hydroxybenzoyl)hydrazinyl]but-3-enamide has a molecular weight of 402.45 g/mol, XLogP of 3.91, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-3-[2-(2-hydroxybenzoyl)hydrazinyl]but-3-enamide is sourced from PubChem (CID 4090382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).