N-(2-benzyl-1,3-dihydroisoindol-5-yl)formamide

C16H16N2O — CID 168652594

IUPACN-(2-benzyl-1,3-dihydroisoindol-5-yl)formamide
SMILESO=CNc1ccc2c(c1)CN(Cc1ccccc1)C2
InChIInChI=1S/C16H16N2O/c19-12-17-16-7-6-14-10-18(11-15(14)8-16)9-13-4-2-1-3-5-13/h1-8,12H,9-11H2,(H,17,19)
InChIKeyGIJWSYQELTYPHL-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.77
Rot. Bonds4

About N-(2-benzyl-1,3-dihydroisoindol-5-yl)formamide

N-(2-benzyl-1,3-dihydroisoindol-5-yl)formamide (PubChem CID 168652594) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(2-benzyl-1,3-dihydroisoindol-5-yl)formamide.

Molecular Properties

Compound NameN-(2-benzyl-1,3-dihydroisoindol-5-yl)formamide
PubChem CID168652594
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-(2-benzyl-1,3-dihydroisoindol-5-yl)formamide
SMILESO=CNc1ccc2c(c1)CN(Cc1ccccc1)C2
InChIInChI=1S/C16H16N2O/c19-12-17-16-7-6-14-10-18(11-15(14)8-16)9-13-4-2-1-3-5-13/h1-8,12H,9-11H2,(H,17,19)
InChIKeyGIJWSYQELTYPHL-UHFFFAOYSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.77
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-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide
CID 15167888
1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-bromophenyl)urea
CID 46389889
1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-chloro-4-methylphenyl)urea
CID 46389874
2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride
CID 162343848
N-(2-benzyl-1,3-dihydroisoindol-5-yl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
CID 46981546
1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(2,5-dimethylphenyl)urea
CID 46389876
N-(4-benzyl-2,3-dihydro-1,4-benzothiazin-6-yl)formamide
CID 156827909
N-(9H-fluoren-2-yl)formamide
CID 23389
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
2-benzyl-6-chloro-1,3-dihydroisoquinolin-4-one
CID 13272466
N-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide
CID 46980658
N-benzyl-4-[[5-(hydroxymethyl)-1,3-dihydroisoindol-2-yl]methyl]benzamide
CID 11268773

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-1,3-dihydroisoindol-5-yl)formamide?
The IUPAC name of N-(2-benzyl-1,3-dihydroisoindol-5-yl)formamide (CID 168652594) is N-(2-benzyl-1,3-dihydroisoindol-5-yl)formamide.
What is the SMILES notation for N-(2-benzyl-1,3-dihydroisoindol-5-yl)formamide?
The canonical SMILES for N-(2-benzyl-1,3-dihydroisoindol-5-yl)formamide is O=CNc1ccc2c(c1)CN(Cc1ccccc1)C2.
What is the InChIKey of N-(2-benzyl-1,3-dihydroisoindol-5-yl)formamide?
The InChIKey is GIJWSYQELTYPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-12-17-16-7-6-14-10-18(11-15(14)8-16)9-13-4-2-1-3-5-13/h1-8,12H,9-11H2,(H,17,19).
What are the key properties of N-(2-benzyl-1,3-dihydroisoindol-5-yl)formamide?
N-(2-benzyl-1,3-dihydroisoindol-5-yl)formamide has a molecular weight of 252.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-1,3-dihydroisoindol-5-yl)formamide is sourced from PubChem (CID 168652594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).