6-amino-N-[(3-fluorophenyl)methyl]-1H-indole-3-carboxamide

C16H14FN3O — CID 61095134

IUPAC6-amino-N-[(3-fluorophenyl)methyl]-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)NCc3cccc(F)c3)c[nH]c2c1
InChIInChI=1S/C16H14FN3O/c17-11-3-1-2-10(6-11)8-20-16(21)14-9-19-15-7-12(18)4-5-13(14)15/h1-7,9,19H,8,18H2,(H,20,21)
InChIKeyGPCRFEZBKLLZCB-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.82
Rot. Bonds3

About 6-amino-N-[(3-fluorophenyl)methyl]-1H-indole-3-carboxamide

6-amino-N-[(3-fluorophenyl)methyl]-1H-indole-3-carboxamide (PubChem CID 61095134) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 6-amino-N-[(3-fluorophenyl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(3-fluorophenyl)methyl]-1H-indole-3-carboxamide
PubChem CID61095134
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name6-amino-N-[(3-fluorophenyl)methyl]-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)NCc3cccc(F)c3)c[nH]c2c1
InChIInChI=1S/C16H14FN3O/c17-11-3-1-2-10(6-11)8-20-16(21)14-9-19-15-7-12(18)4-5-13(14)15/h1-7,9,19H,8,18H2,(H,20,21)
InChIKeyGPCRFEZBKLLZCB-UHFFFAOYSA-N
XLogP2.82
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.82
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-(2-phenylethyl)-1H-indole-3-carboxamide
CID 61091496
6-amino-N-(2,2-difluoroethyl)-1H-indole-3-carboxamide
CID 115405243
6-amino-N-(1H-imidazol-2-ylmethyl)-1H-indole-3-carboxamide
CID 64518943
6-fluoro-1H-indole-3-carbohydrazide
CID 129321028
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
N-[(3-aminophenyl)methyl]-2,4-difluorobenzamide
CID 62499463
6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide
CID 115597694
N-[(3-fluorophenyl)methyl]-2-iodobenzamide
CID 46447840
1-(6-amino-1H-indol-3-yl)-2-phenylethanone
CID 57257325
6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide
CID 61095149
N-[(3-aminophenyl)methyl]-4-fluorobenzamide
CID 55083550
6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide
CID 63824926

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(3-fluorophenyl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-[(3-fluorophenyl)methyl]-1H-indole-3-carboxamide (CID 61095134) is 6-amino-N-[(3-fluorophenyl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-[(3-fluorophenyl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-[(3-fluorophenyl)methyl]-1H-indole-3-carboxamide is Nc1ccc2c(C(=O)NCc3cccc(F)c3)c[nH]c2c1.
What is the InChIKey of 6-amino-N-[(3-fluorophenyl)methyl]-1H-indole-3-carboxamide?
The InChIKey is GPCRFEZBKLLZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-11-3-1-2-10(6-11)8-20-16(21)14-9-19-15-7-12(18)4-5-13(14)15/h1-7,9,19H,8,18H2,(H,20,21).
What are the key properties of 6-amino-N-[(3-fluorophenyl)methyl]-1H-indole-3-carboxamide?
6-amino-N-[(3-fluorophenyl)methyl]-1H-indole-3-carboxamide has a molecular weight of 283.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(3-fluorophenyl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 61095134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).