N-[(4-methoxyphenyl)methylideneamino]-2-phenyl-1,3-dihydroisoindole-5-carboxamide

C23H21N3O2 — CID 1240254

IUPACN-[(4-methoxyphenyl)methylideneamino]-2-phenyl-1,3-dihydroisoindole-5-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2ccc3c(c2)CN(c2ccccc2)C3)cc1
InChIInChI=1S/C23H21N3O2/c1-28-22-11-7-17(8-12-22)14-24-25-23(27)18-9-10-19-15-26(16-20(19)13-18)21-5-3-2-4-6-21/h2-14H,15-16H2,1H3,(H,25,27)
InChIKeyCHKUCXKEADSVLL-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.98
Rot. Bonds5

About N-[(4-methoxyphenyl)methylideneamino]-2-phenyl-1,3-dihydroisoindole-5-carboxamide

N-[(4-methoxyphenyl)methylideneamino]-2-phenyl-1,3-dihydroisoindole-5-carboxamide (PubChem CID 1240254) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methylideneamino]-2-phenyl-1,3-dihydroisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methylideneamino]-2-phenyl-1,3-dihydroisoindole-5-carboxamide
PubChem CID1240254
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[(4-methoxyphenyl)methylideneamino]-2-phenyl-1,3-dihydroisoindole-5-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2ccc3c(c2)CN(c2ccccc2)C3)cc1
InChIInChI=1S/C23H21N3O2/c1-28-22-11-7-17(8-12-22)14-24-25-23(27)18-9-10-19-15-26(16-20(19)13-18)21-5-3-2-4-6-21/h2-14H,15-16H2,1H3,(H,25,27)
InChIKeyCHKUCXKEADSVLL-UHFFFAOYSA-N
XLogP3.98
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6895959
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
4-(1,3-dihydroisoindol-2-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135446581
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581
4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135781840
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]-1,3-dihydroisoindole-5-carboxamide
CID 5123231
4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide
CID 1039675
4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50855117
N-[[4-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-hydroxybenzamide
CID 1350157
2-(4-fluorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dihydroisoindole-5-carboxamide
CID 137059943

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methylideneamino]-2-phenyl-1,3-dihydroisoindole-5-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methylideneamino]-2-phenyl-1,3-dihydroisoindole-5-carboxamide (CID 1240254) is N-[(4-methoxyphenyl)methylideneamino]-2-phenyl-1,3-dihydroisoindole-5-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methylideneamino]-2-phenyl-1,3-dihydroisoindole-5-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methylideneamino]-2-phenyl-1,3-dihydroisoindole-5-carboxamide is COc1ccc(C=NNC(=O)c2ccc3c(c2)CN(c2ccccc2)C3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methylideneamino]-2-phenyl-1,3-dihydroisoindole-5-carboxamide?
The InChIKey is CHKUCXKEADSVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-28-22-11-7-17(8-12-22)14-24-25-23(27)18-9-10-19-15-26(16-20(19)13-18)21-5-3-2-4-6-21/h2-14H,15-16H2,1H3,(H,25,27).
What are the key properties of N-[(4-methoxyphenyl)methylideneamino]-2-phenyl-1,3-dihydroisoindole-5-carboxamide?
N-[(4-methoxyphenyl)methylideneamino]-2-phenyl-1,3-dihydroisoindole-5-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methylideneamino]-2-phenyl-1,3-dihydroisoindole-5-carboxamide is sourced from PubChem (CID 1240254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).