5-amino-7-chloro-N-methyl-1-(2-methylpropyl)indole-2-carboxamide

C14H18ClN3O — CID 142312126

IUPAC5-amino-7-chloro-N-methyl-1-(2-methylpropyl)indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(N)cc(Cl)c2n1CC(C)C
InChIInChI=1S/C14H18ClN3O/c1-8(2)7-18-12(14(19)17-3)5-9-4-10(16)6-11(15)13(9)18/h4-6,8H,7,16H2,1-3H3,(H,17,19)
InChIKeyGKGVYHQYRJKOCJ-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.89
Rot. Bonds3

About 5-amino-7-chloro-N-methyl-1-(2-methylpropyl)indole-2-carboxamide

5-amino-7-chloro-N-methyl-1-(2-methylpropyl)indole-2-carboxamide (PubChem CID 142312126) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 5-amino-7-chloro-N-methyl-1-(2-methylpropyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-7-chloro-N-methyl-1-(2-methylpropyl)indole-2-carboxamide
PubChem CID142312126
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name5-amino-7-chloro-N-methyl-1-(2-methylpropyl)indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(N)cc(Cl)c2n1CC(C)C
InChIInChI=1S/C14H18ClN3O/c1-8(2)7-18-12(14(19)17-3)5-9-4-10(16)6-11(15)13(9)18/h4-6,8H,7,16H2,1-3H3,(H,17,19)
InChIKeyGKGVYHQYRJKOCJ-UHFFFAOYSA-N
XLogP2.89
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Jnj-7777120
CID 4908365
1-(2-((4-Chlorophenyl)amino)-2-oxoethyl)-N-(1-isopropylpiperidin-4-YL)-1H-indole-2-carboxamide
CID 6540268
(5-chloro-1H-indol-2-yl)(piperazino)methanone
CID 21638785
1-[2-(4-chlorophenyl)ethyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801009
1-[(3-chlorophenyl)methyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801045
1-{[(3-chlorophenyl)carbamoyl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 23647200
Bauerine C
CID 189883
5-chloro-N-(4-(4-(2,4-dichlorophenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10367857
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10456166
N-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]-1H-indole-2-carboxamide
CID 42626103
N-[(3S)-4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-fluorobutyl]-1H-indole-2-carboxamide
CID 130431288
N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-fluorobutyl]-1H-indole-2-carboxamide
CID 130431289

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-chloro-N-methyl-1-(2-methylpropyl)indole-2-carboxamide?
The IUPAC name of 5-amino-7-chloro-N-methyl-1-(2-methylpropyl)indole-2-carboxamide (CID 142312126) is 5-amino-7-chloro-N-methyl-1-(2-methylpropyl)indole-2-carboxamide.
What is the SMILES notation for 5-amino-7-chloro-N-methyl-1-(2-methylpropyl)indole-2-carboxamide?
The canonical SMILES for 5-amino-7-chloro-N-methyl-1-(2-methylpropyl)indole-2-carboxamide is CNC(=O)c1cc2cc(N)cc(Cl)c2n1CC(C)C.
What is the InChIKey of 5-amino-7-chloro-N-methyl-1-(2-methylpropyl)indole-2-carboxamide?
The InChIKey is GKGVYHQYRJKOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-8(2)7-18-12(14(19)17-3)5-9-4-10(16)6-11(15)13(9)18/h4-6,8H,7,16H2,1-3H3,(H,17,19).
What are the key properties of 5-amino-7-chloro-N-methyl-1-(2-methylpropyl)indole-2-carboxamide?
5-amino-7-chloro-N-methyl-1-(2-methylpropyl)indole-2-carboxamide has a molecular weight of 279.77 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-chloro-N-methyl-1-(2-methylpropyl)indole-2-carboxamide is sourced from PubChem (CID 142312126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).