N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-morpholin-4-ylbenzamide

C20H20ClN3O3 — CID 137060491

IUPACN-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-morpholin-4-ylbenzamide
SMILESO=C(N/N=C1\CCc2c(Cl)ccc(O)c21)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C20H20ClN3O3/c21-16-5-7-18(25)19-15(16)4-6-17(19)22-23-20(26)13-2-1-3-14(12-13)24-8-10-27-11-9-24/h1-3,5,7,12,25H,4,6,8-11H2,(H,23,26)/b22-17+
InChIKeyNAJTWWLCZZSRKH-OQKWZONESA-N
MW385.85 g/mol
LogP2.96
Rot. Bonds3

About N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-morpholin-4-ylbenzamide

N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-morpholin-4-ylbenzamide (PubChem CID 137060491) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-morpholin-4-ylbenzamide
PubChem CID137060491
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-morpholin-4-ylbenzamide
SMILESO=C(N/N=C1\CCc2c(Cl)ccc(O)c21)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C20H20ClN3O3/c21-16-5-7-18(25)19-15(16)4-6-17(19)22-23-20(26)13-2-1-3-14(12-13)24-8-10-27-11-9-24/h1-3,5,7,12,25H,4,6,8-11H2,(H,23,26)/b22-17+
InChIKeyNAJTWWLCZZSRKH-OQKWZONESA-N
XLogP2.96
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-morpholin-4-ylbenzamide 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-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylbenzamide
CID 136265212
1-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 155520641
N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-(morpholine-4-carbonyl)benzamide
CID 155530484
3-N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-1-N-phenylbenzene-1,3-dicarboxamide
CID 155558109
5-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-2-hydroxybenzamide
CID 9040643
(E)-N'-(1-(5-chloro-2-hydroxyphenyl)ethylidene)-3-morpholinobenzohydrazide
CID 136377259
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-piperidin-1-ylbenzamide
CID 136994939
N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylbenzamide
CID 137035619
N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-piperidin-1-ylbenzamide
CID 137060468
N-[(E)-(4-chloro-7-hydroxy-6-methyl-2,3-dihydroinden-1-ylidene)amino]-3-(4-methylpiperazin-1-yl)benzamide
CID 137060472
N-[(Z)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-(4-methylpiperazin-1-yl)benzamide
CID 137060477
N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-(4-methylpiperazin-1-yl)benzamide
CID 137060494

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-morpholin-4-ylbenzamide?
The IUPAC name of N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-morpholin-4-ylbenzamide (CID 137060491) is N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-morpholin-4-ylbenzamide is O=C(N/N=C1\CCc2c(Cl)ccc(O)c21)c1cccc(N2CCOCC2)c1.
What is the InChIKey of N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-morpholin-4-ylbenzamide?
The InChIKey is NAJTWWLCZZSRKH-OQKWZONESA-N. The full InChI is InChI=1S/C20H20ClN3O3/c21-16-5-7-18(25)19-15(16)4-6-17(19)22-23-20(26)13-2-1-3-14(12-13)24-8-10-27-11-9-24/h1-3,5,7,12,25H,4,6,8-11H2,(H,23,26)/b22-17+.
What are the key properties of N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-morpholin-4-ylbenzamide?
N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-morpholin-4-ylbenzamide has a molecular weight of 385.85 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chloro-7-hydroxy-2,3-dihydroinden-1-ylidene)amino]-3-morpholin-4-ylbenzamide is sourced from PubChem (CID 137060491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).