N-(4-formylphenyl)-1,3-dihydroisoindole-2-carboxamide

C16H14N2O2 — CID 86665079

IUPACN-(4-formylphenyl)-1,3-dihydroisoindole-2-carboxamide
SMILESO=Cc1ccc(NC(=O)N2Cc3ccccc3C2)cc1
InChIInChI=1S/C16H14N2O2/c19-11-12-5-7-15(8-6-12)17-16(20)18-9-13-3-1-2-4-14(13)10-18/h1-8,11H,9-10H2,(H,17,20)
InChIKeyBPGIONYHMCQKSD-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.05
Rot. Bonds2

About N-(4-formylphenyl)-1,3-dihydroisoindole-2-carboxamide

N-(4-formylphenyl)-1,3-dihydroisoindole-2-carboxamide (PubChem CID 86665079) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(4-formylphenyl)-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-(4-formylphenyl)-1,3-dihydroisoindole-2-carboxamide
PubChem CID86665079
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-(4-formylphenyl)-1,3-dihydroisoindole-2-carboxamide
SMILESO=Cc1ccc(NC(=O)N2Cc3ccccc3C2)cc1
InChIInChI=1S/C16H14N2O2/c19-11-12-5-7-15(8-6-12)17-16(20)18-9-13-3-1-2-4-14(13)10-18/h1-8,11H,9-10H2,(H,17,20)
InChIKeyBPGIONYHMCQKSD-UHFFFAOYSA-N
XLogP3.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(2-phenylethylamino)prop-1-enyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 123921681
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 86665076
N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane
CID 176960927
N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 846926
N-[4-(diethylamino)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108989160
N-[4-(5-phenylpent-1-enyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 68746516
N-(4-formylphenyl)naphthalene-2-carboxamide
CID 87842384
4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide
CID 144544171
benzaldehyde;N-(4-formylphenyl)acetamide;N-methylmethanamine
CID 87691755
2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid
CID 62230167
4-[4-[4-(1,3-dihydroisoindole-2-carbonylamino)phenyl]phenyl]-2,2-dimethyl-4-oxobutanoate
CID 86633660
N-[4-[2-(azepan-1-yl)ethylcarbamoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 71573235

Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-(4-formylphenyl)-1,3-dihydroisoindole-2-carboxamide (CID 86665079) is N-(4-formylphenyl)-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-(4-formylphenyl)-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-(4-formylphenyl)-1,3-dihydroisoindole-2-carboxamide is O=Cc1ccc(NC(=O)N2Cc3ccccc3C2)cc1.
What is the InChIKey of N-(4-formylphenyl)-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is BPGIONYHMCQKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-11-12-5-7-15(8-6-12)17-16(20)18-9-13-3-1-2-4-14(13)10-18/h1-8,11H,9-10H2,(H,17,20).
What are the key properties of N-(4-formylphenyl)-1,3-dihydroisoindole-2-carboxamide?
N-(4-formylphenyl)-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 86665079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).