5-fluoro-N-[(3-hydroxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide

C19H19FN2O3 — CID 21014406

IUPAC5-fluoro-N-[(3-hydroxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)cc1O
InChIInChI=1S/C19H19FN2O3/c1-2-7-25-18-6-3-12(8-17(18)23)11-21-19(24)16-10-13-9-14(20)4-5-15(13)22-16/h3-6,8-10,22-23H,2,7,11H2,1H3,(H,21,24)
InChIKeyGDKDECXLMPKWBK-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.73
Rot. Bonds6

About 5-fluoro-N-[(3-hydroxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide

5-fluoro-N-[(3-hydroxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 21014406) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 5-fluoro-N-[(3-hydroxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(3-hydroxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID21014406
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name5-fluoro-N-[(3-hydroxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)cc1O
InChIInChI=1S/C19H19FN2O3/c1-2-7-25-18-6-3-12(8-17(18)23)11-21-19(24)16-10-13-9-14(20)4-5-15(13)22-16/h3-6,8-10,22-23H,2,7,11H2,1H3,(H,21,24)
InChIKeyGDKDECXLMPKWBK-UHFFFAOYSA-N
XLogP3.73
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 21014440
N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide
CID 21014514
N-[(4-fluorophenyl)methyl]-4-oxo-4-[2-(5-propoxy-1H-indole-2-carbonyl)hydrazinyl]butanamide
CID 51362542
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide
CID 46415642
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 46921201
7-(3-ethoxyphenyl)-5-fluoro-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(3-hydroxyphenyl)methyl]-1H-indole-2-carboxamide
CID 159075652
N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207170
ethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate
CID 37254903
(2S,3S)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-3-methylpentanoic acid
CID 119194117
N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 36704078

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-hydroxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[(3-hydroxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide (CID 21014406) is 5-fluoro-N-[(3-hydroxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(3-hydroxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[(3-hydroxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide is CCCOc1ccc(CNC(=O)c2cc3cc(F)ccc3[nH]2)cc1O.
What is the InChIKey of 5-fluoro-N-[(3-hydroxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is GDKDECXLMPKWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-2-7-25-18-6-3-12(8-17(18)23)11-21-19(24)16-10-13-9-14(20)4-5-15(13)22-16/h3-6,8-10,22-23H,2,7,11H2,1H3,(H,21,24).
What are the key properties of 5-fluoro-N-[(3-hydroxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide?
5-fluoro-N-[(3-hydroxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3-hydroxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 21014406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).