N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide

C17H17N3O — CID 116650098

IUPACN-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2[nH]1)c1ccc(N)cc1
InChIInChI=1S/C17H17N3O/c1-11(12-6-8-14(18)9-7-12)19-17(21)16-10-13-4-2-3-5-15(13)20-16/h2-11,20H,18H2,1H3,(H,19,21)
InChIKeyQJQLABBMPAUPIJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.24
Rot. Bonds3

About N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide

N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide (PubChem CID 116650098) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide
PubChem CID116650098
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2[nH]1)c1ccc(N)cc1
InChIInChI=1S/C17H17N3O/c1-11(12-6-8-14(18)9-7-12)19-17(21)16-10-13-4-2-3-5-15(13)20-16/h2-11,20H,18H2,1H3,(H,19,21)
InChIKeyQJQLABBMPAUPIJ-UHFFFAOYSA-N
XLogP3.24
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 103856161
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 9162190
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 55671575
5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide
CID 95253875
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide
CID 123445942
5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
CID 63117840
N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 123184701
N-[(1S)-1-(4-aminophenyl)ethyl]benzamide
CID 35525579

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide (CID 116650098) is N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide is CC(NC(=O)c1cc2ccccc2[nH]1)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is QJQLABBMPAUPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11(12-6-8-14(18)9-7-12)19-17(21)16-10-13-4-2-3-5-15(13)20-16/h2-11,20H,18H2,1H3,(H,19,21).
What are the key properties of N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide?
N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 116650098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).