2-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide

C22H18FN3O2 — CID 137059943

IUPAC2-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccc2c(c1)CN(c1ccc(F)cc1)C2
InChIInChI=1S/C22H18FN3O2/c23-19-7-9-20(10-8-19)26-13-17-6-5-15(11-18(17)14-26)22(28)25-24-12-16-3-1-2-4-21(16)27/h1-12,27H,13-14H2,(H,25,28)/b24-12+
InChIKeyMRZLOGBWWTZUAA-WYMPLXKRSA-N
MW375.40 g/mol
LogP3.82
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide

2-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide (PubChem CID 137059943) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide
PubChem CID137059943
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name2-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccc2c(c1)CN(c1ccc(F)cc1)C2
InChIInChI=1S/C22H18FN3O2/c23-19-7-9-20(10-8-19)26-13-17-6-5-15(11-18(17)14-26)22(28)25-24-12-16-3-1-2-4-21(16)27/h1-12,27H,13-14H2,(H,25,28)/b24-12+
InChIKeyMRZLOGBWWTZUAA-WYMPLXKRSA-N
XLogP3.82
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide 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-(4-chlorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide
CID 137059736
2-(4-methoxyphenyl)-N-[(2-nitrophenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide
CID 78614394
4-[(E)-[[2-(4-bromophenyl)-1,3-dihydroisoindole-5-carbonyl]hydrazinylidene]methyl]benzoic acid
CID 124525519
3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136746485
3-[(4-fluorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135957362
N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250
N-[(4-methoxyphenyl)methylideneamino]-2-phenyl-1,3-dihydroisoindole-5-carboxamide
CID 1240254
4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135781840
4-(1,3-dihydroisoindol-2-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135446581
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136782182
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
3,5-dihydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135708473

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide (CID 137059943) is 2-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide is O=C(N/N=C/c1ccccc1O)c1ccc2c(c1)CN(c1ccc(F)cc1)C2.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide?
The InChIKey is MRZLOGBWWTZUAA-WYMPLXKRSA-N. The full InChI is InChI=1S/C22H18FN3O2/c23-19-7-9-20(10-8-19)26-13-17-6-5-15(11-18(17)14-26)22(28)25-24-12-16-3-1-2-4-21(16)27/h1-12,27H,13-14H2,(H,25,28)/b24-12+.
What are the key properties of 2-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide?
2-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide is sourced from PubChem (CID 137059943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).