6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide

C11H11F2N3O — CID 115405243

IUPAC6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)NCC(F)F)c[nH]c2c1
InChIInChI=1S/C11H11F2N3O/c12-10(13)5-16-11(17)8-4-15-9-3-6(14)1-2-7(8)9/h1-4,10,15H,5,14H2,(H,16,17)
InChIKeyCYYJWKDLPYWBSM-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.75
Rot. Bonds3

About 6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide

6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide (PubChem CID 115405243) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide
PubChem CID115405243
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)NCC(F)F)c[nH]c2c1
InChIInChI=1S/C11H11F2N3O/c12-10(13)5-16-11(17)8-4-15-9-3-6(14)1-2-7(8)9/h1-4,10,15H,5,14H2,(H,16,17)
InChIKeyCYYJWKDLPYWBSM-UHFFFAOYSA-N
XLogP1.75
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.75
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

6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide
CID 115597694
6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide
CID 61095149
6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide
CID 61091496
6-amino-N-[(3-fluorophenyl)methyl]-1H-indole-3-carboxamide
CID 61095134
6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide
CID 63824926
6-amino-N-(1H-imidazol-2-ylmethyl)-1H-indole-3-carboxamide
CID 64518943
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide
CID 107211217
6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide
CID 61469066
6-amino-N-(2-cyclohexylethyl)-1H-indole-3-carboxamide
CID 61103883
ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate
CID 61498215
6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide
CID 61117894
6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride
CID 71938706

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide (CID 115405243) is 6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide is Nc1ccc2c(C(=O)NCC(F)F)c[nH]c2c1.
What is the InChIKey of 6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide?
The InChIKey is CYYJWKDLPYWBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c12-10(13)5-16-11(17)8-4-15-9-3-6(14)1-2-7(8)9/h1-4,10,15H,5,14H2,(H,16,17).
What are the key properties of 6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide?
6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide has a molecular weight of 239.23 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 115405243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).