7-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide

C14H16F3N3O — CID 63117962

IUPAC7-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C14H16F3N3O/c1-8(2)20(7-14(15,16)17)13(21)11-6-9-4-3-5-10(18)12(9)19-11/h3-6,8,19H,7,18H2,1-2H3
InChIKeyIZXGXJQWWZFUDL-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.16
Rot. Bonds3

About 7-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide

7-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide (PubChem CID 63117962) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 7-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
PubChem CID63117962
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name7-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C14H16F3N3O/c1-8(2)20(7-14(15,16)17)13(21)11-6-9-4-3-5-10(18)12(9)19-11/h3-6,8,19H,7,18H2,1-2H3
InChIKeyIZXGXJQWWZFUDL-UHFFFAOYSA-N
XLogP3.16
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-(2-methoxyethyl)-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 63117917
1-(7-amino-1H-indol-2-yl)-3,3-dimethylbutan-1-one
CID 58192931
7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide
CID 63117459
7-amino-N-cyclopentyl-N-ethyl-1H-indole-2-carboxamide
CID 62057898
7-amino-N-(3-methylsulfonylpropyl)-1H-indole-2-carboxamide
CID 62058325
ethyl 2-[(7-amino-1H-indole-2-carbonyl)-methylamino]acetate
CID 63118066
7-amino-N-[2-(dimethylamino)ethyl]-N-propyl-1H-indole-2-carboxamide
CID 63118057
7-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 118708600
7-amino-N-propyl-1H-indole-2-carboxamide
CID 62056831
methyl 7-amino-1H-indole-2-carboxylate
CID 18550972
3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60947328
6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 103889742

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide (CID 63117962) is 7-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide is CC(C)N(CC(F)(F)F)C(=O)c1cc2cccc(N)c2[nH]1.
What is the InChIKey of 7-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide?
The InChIKey is IZXGXJQWWZFUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-8(2)20(7-14(15,16)17)13(21)11-6-9-4-3-5-10(18)12(9)19-11/h3-6,8,19H,7,18H2,1-2H3.
What are the key properties of 7-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide?
7-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide has a molecular weight of 299.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 63117962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).