N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide

C16H16N2O2 — CID 80565407

IUPACN-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(Nc1cccc(CO)c1)C1CNc2ccccc21
InChIInChI=1S/C16H16N2O2/c19-10-11-4-3-5-12(8-11)18-16(20)14-9-17-15-7-2-1-6-13(14)15/h1-8,14,17,19H,9-10H2,(H,18,20)
InChIKeyZCAFNTWPMDJGJJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.33
Rot. Bonds3

About N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide

N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80565407) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80565407
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(Nc1cccc(CO)c1)C1CNc2ccccc21
InChIInChI=1S/C16H16N2O2/c19-10-11-4-3-5-12(8-11)18-16(20)14-9-17-15-7-2-1-6-13(14)15/h1-8,14,17,19H,9-10H2,(H,18,20)
InChIKeyZCAFNTWPMDJGJJ-UHFFFAOYSA-N
XLogP2.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565871
2-(2,3-dihydro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 80572158
N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80564486
N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566409
N-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 107588629
(2S)-N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61179485
N-(3-fluoro-5-methylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567216
N-(1,2-oxazol-4-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566319
5-(2,3-dihydro-1H-indole-3-carbonylamino)pyridine-3-carboxylic acid
CID 80563548
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567229
N-(2-ethylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565911
N-(4-bromo-2,5-difluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 107611758

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide (CID 80565407) is N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide is O=C(Nc1cccc(CO)c1)C1CNc2ccccc21.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is ZCAFNTWPMDJGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-10-11-4-3-5-12(8-11)18-16(20)14-9-17-15-7-2-1-6-13(14)15/h1-8,14,17,19H,9-10H2,(H,18,20).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide?
N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80565407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).