6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide

C18H17FN2O — CID 113207440

IUPAC6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H17FN2O/c19-15-9-8-14-11-17(21-16(14)12-15)18(22)20-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,21H,4,7,10H2,(H,20,22)
InChIKeySJHBSGRZQSEWRL-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.67
Rot. Bonds5

About 6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide

6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide (PubChem CID 113207440) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
PubChem CID113207440
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H17FN2O/c19-15-9-8-14-11-17(21-16(14)12-15)18(22)20-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,21H,4,7,10H2,(H,20,22)
InChIKeySJHBSGRZQSEWRL-UHFFFAOYSA-N
XLogP3.67
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207554
5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide
CID 38572594
6-fluoro-3-methyl-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113205161
N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide
CID 27802085
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
N'-(2-phenylethyl)-1H-indole-2-carbohydrazide
CID 155552578
N-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide
CID 113207305
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 36704078
6-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide
CID 144936006
N-[2-(4-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529043

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide (CID 113207440) is 6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide is O=C(NCCCc1ccccc1)c1cc2ccc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide?
The InChIKey is SJHBSGRZQSEWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c19-15-9-8-14-11-17(21-16(14)12-15)18(22)20-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,21H,4,7,10H2,(H,20,22).
What are the key properties of 6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide?
6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 113207440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).