N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide

C22H18ClN3O5 — CID 3465432

IUPACN-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide
SMILESCC(=NNC(=O)c1cc(O)c(O)c(O)c1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18ClN3O5/c1-12(25-26-22(31)15-10-18(27)20(29)19(28)11-15)13-4-8-17(9-5-13)24-21(30)14-2-6-16(23)7-3-14/h2-11,27-29H,1H3,(H,24,30)(H,26,31)
InChIKeyGLLWESHWVABGRI-UHFFFAOYSA-N
MW439.86 g/mol
LogP3.86
Rot. Bonds5

About N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide

N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide (PubChem CID 3465432) has the molecular formula C22H18ClN3O5 and a molecular weight of 439.86 g/mol. Its IUPAC name is N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide.

Molecular Properties

Compound NameN-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide
PubChem CID3465432
Molecular FormulaC22H18ClN3O5
Molecular Weight439.86 g/mol
Exact Mass439.09
IUPAC NameN-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide
SMILESCC(=NNC(=O)c1cc(O)c(O)c(O)c1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18ClN3O5/c1-12(25-26-22(31)15-10-18(27)20(29)19(28)11-15)13-4-8-17(9-5-13)24-21(30)14-2-6-16(23)7-3-14/h2-11,27-29H,1H3,(H,24,30)(H,26,31)
InChIKeyGLLWESHWVABGRI-UHFFFAOYSA-N
XLogP3.86
TPSA131.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.86
LogP ≤ 53.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide 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-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide
CID 4051552
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide
CID 4099820
4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4633062
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
N-[4-[C-methyl-N-[(3,4,5-trihydroxybenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3654494
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide
CID 6089848
3,4,5-trihydroxy-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 5009394
4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 5432243
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide
CID 5158930
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6007896
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]thiophene-2-carboxamide
CID 6149852
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 3473890

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide?
The IUPAC name of N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide (CID 3465432) is N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide.
What is the SMILES notation for N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide?
The canonical SMILES for N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide is CC(=NNC(=O)c1cc(O)c(O)c(O)c1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide?
The InChIKey is GLLWESHWVABGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O5/c1-12(25-26-22(31)15-10-18(27)20(29)19(28)11-15)13-4-8-17(9-5-13)24-21(30)14-2-6-16(23)7-3-14/h2-11,27-29H,1H3,(H,24,30)(H,26,31).
What are the key properties of N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide?
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide has a molecular weight of 439.86 g/mol, XLogP of 3.86, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-3,4,5-trihydroxybenzamide is sourced from PubChem (CID 3465432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).