7-amino-N-(3-fluoro-5-methylphenyl)-1H-indole-2-carboxamide

C16H14FN3O — CID 79041127

IUPAC7-amino-N-(3-fluoro-5-methylphenyl)-1H-indole-2-carboxamide
SMILESCc1cc(F)cc(NC(=O)c2cc3cccc(N)c3[nH]2)c1
InChIInChI=1S/C16H14FN3O/c1-9-5-11(17)8-12(6-9)19-16(21)14-7-10-3-2-4-13(18)15(10)20-14/h2-8,20H,18H2,1H3,(H,19,21)
InChIKeyIRYDREIPCFHBSB-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.45
Rot. Bonds2

About 7-amino-N-(3-fluoro-5-methylphenyl)-1H-indole-2-carboxamide

7-amino-N-(3-fluoro-5-methylphenyl)-1H-indole-2-carboxamide (PubChem CID 79041127) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 7-amino-N-(3-fluoro-5-methylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-(3-fluoro-5-methylphenyl)-1H-indole-2-carboxamide
PubChem CID79041127
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name7-amino-N-(3-fluoro-5-methylphenyl)-1H-indole-2-carboxamide
SMILESCc1cc(F)cc(NC(=O)c2cc3cccc(N)c3[nH]2)c1
InChIInChI=1S/C16H14FN3O/c1-9-5-11(17)8-12(6-9)19-16(21)14-7-10-3-2-4-13(18)15(10)20-14/h2-8,20H,18H2,1H3,(H,19,21)
InChIKeyIRYDREIPCFHBSB-UHFFFAOYSA-N
XLogP3.45
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-amino-N-(3-fluoro-5-methylphenyl)-1H-indole-2-carboxamide 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

7-amino-N-(4,6-dimethyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 114931643
7-amino-N-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 62057891
7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide
CID 63117531
7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide
CID 63117458
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide
CID 79048317
7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide
CID 66251996
7-amino-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 63117500
7-amino-N-(3-fluoro-4-pyridinyl)-1H-indole-2-carboxamide
CID 107594603
7-amino-N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1H-indole-2-carboxamide
CID 172922337
7-amino-N-propyl-1H-indole-2-carboxamide
CID 62056831
methyl 7-amino-1H-indole-2-carboxylate
CID 18550972
7-amino-N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide
CID 62058461

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-fluoro-5-methylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-(3-fluoro-5-methylphenyl)-1H-indole-2-carboxamide (CID 79041127) is 7-amino-N-(3-fluoro-5-methylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-(3-fluoro-5-methylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-(3-fluoro-5-methylphenyl)-1H-indole-2-carboxamide is Cc1cc(F)cc(NC(=O)c2cc3cccc(N)c3[nH]2)c1.
What is the InChIKey of 7-amino-N-(3-fluoro-5-methylphenyl)-1H-indole-2-carboxamide?
The InChIKey is IRYDREIPCFHBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-9-5-11(17)8-12(6-9)19-16(21)14-7-10-3-2-4-13(18)15(10)20-14/h2-8,20H,18H2,1H3,(H,19,21).
What are the key properties of 7-amino-N-(3-fluoro-5-methylphenyl)-1H-indole-2-carboxamide?
7-amino-N-(3-fluoro-5-methylphenyl)-1H-indole-2-carboxamide has a molecular weight of 283.31 g/mol, XLogP of 3.45, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-fluoro-5-methylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 79041127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).