5-chloro-N-[(E)-2-methylpent-2-enyl]-1H-indole-2-carboxamide;2-methylbutane

C20H29ClN2O — CID 144935836

IUPAC5-chloro-N-[(E)-2-methylpent-2-enyl]-1H-indole-2-carboxamide;2-methylbutane
SMILESCC/C=C(\C)CNC(=O)c1cc2cc(Cl)ccc2[nH]1.CCC(C)C
InChIInChI=1S/C15H17ClN2O.C5H12/c1-3-4-10(2)9-17-15(19)14-8-11-7-12(16)5-6-13(11)18-14;1-4-5(2)3/h4-8,18H,3,9H2,1-2H3,(H,17,19);5H,4H2,1-3H3/b10-4+;
InChIKeyNCQHPSBJTMCSGR-FCVRUTMISA-N
MW348.92 g/mol
LogP5.96
Rot. Bonds5

About 5-chloro-N-[(E)-2-methylpent-2-enyl]-1H-indole-2-carboxamide;2-methylbutane

5-chloro-N-[(E)-2-methylpent-2-enyl]-1H-indole-2-carboxamide;2-methylbutane (PubChem CID 144935836) has the molecular formula C20H29ClN2O and a molecular weight of 348.92 g/mol. Its IUPAC name is 5-chloro-N-[(E)-2-methylpent-2-enyl]-1H-indole-2-carboxamide;2-methylbutane.

Molecular Properties

Compound Name5-chloro-N-[(E)-2-methylpent-2-enyl]-1H-indole-2-carboxamide;2-methylbutane
PubChem CID144935836
Molecular FormulaC20H29ClN2O
Molecular Weight348.92 g/mol
Exact Mass348.20
IUPAC Name5-chloro-N-[(E)-2-methylpent-2-enyl]-1H-indole-2-carboxamide;2-methylbutane
SMILESCC/C=C(\C)CNC(=O)c1cc2cc(Cl)ccc2[nH]1.CCC(C)C
InChIInChI=1S/C15H17ClN2O.C5H12/c1-3-4-10(2)9-17-15(19)14-8-11-7-12(16)5-6-13(11)18-14;1-4-5(2)3/h4-8,18H,3,9H2,1-2H3,(H,17,19);5H,4H2,1-3H3/b10-4+;
InChIKeyNCQHPSBJTMCSGR-FCVRUTMISA-N
XLogP5.96
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.92
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[(E)-2-methylpent-2-enyl]-1H-indole-2-carboxamide;2-methylbutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide
CID 111662774
5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 78856647
3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid
CID 20627086
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321
5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 38631225
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
methyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]butanoate
CID 134034219
ethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate
CID 141106091
5-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 38557691
5-chloro-N-[2-oxo-2-(2-oxo-1,3-thiazolidin-3-yl)ethyl]-1H-indole-2-carboxamide
CID 57187690
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
5-chloro-N-[(2S,3R)-3-hydroxy-1-oxo-1-(tridecylamino)butan-2-yl]-1H-indole-2-carboxamide
CID 130405471

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(E)-2-methylpent-2-enyl]-1H-indole-2-carboxamide;2-methylbutane?
The IUPAC name of 5-chloro-N-[(E)-2-methylpent-2-enyl]-1H-indole-2-carboxamide;2-methylbutane (CID 144935836) is 5-chloro-N-[(E)-2-methylpent-2-enyl]-1H-indole-2-carboxamide;2-methylbutane.
What is the SMILES notation for 5-chloro-N-[(E)-2-methylpent-2-enyl]-1H-indole-2-carboxamide;2-methylbutane?
The canonical SMILES for 5-chloro-N-[(E)-2-methylpent-2-enyl]-1H-indole-2-carboxamide;2-methylbutane is CC/C=C(\C)CNC(=O)c1cc2cc(Cl)ccc2[nH]1.CCC(C)C.
What is the InChIKey of 5-chloro-N-[(E)-2-methylpent-2-enyl]-1H-indole-2-carboxamide;2-methylbutane?
The InChIKey is NCQHPSBJTMCSGR-FCVRUTMISA-N. The full InChI is InChI=1S/C15H17ClN2O.C5H12/c1-3-4-10(2)9-17-15(19)14-8-11-7-12(16)5-6-13(11)18-14;1-4-5(2)3/h4-8,18H,3,9H2,1-2H3,(H,17,19);5H,4H2,1-3H3/b10-4+;.
What are the key properties of 5-chloro-N-[(E)-2-methylpent-2-enyl]-1H-indole-2-carboxamide;2-methylbutane?
5-chloro-N-[(E)-2-methylpent-2-enyl]-1H-indole-2-carboxamide;2-methylbutane has a molecular weight of 348.92 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(E)-2-methylpent-2-enyl]-1H-indole-2-carboxamide;2-methylbutane is sourced from PubChem (CID 144935836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).