6-fluoro-N-(3-hydroxybutyl)-4-methyl-1H-indole-2-carboxamide

C14H17FN2O2 — CID 111433448

IUPAC6-fluoro-N-(3-hydroxybutyl)-4-methyl-1H-indole-2-carboxamide
SMILESCc1cc(F)cc2[nH]c(C(=O)NCCC(C)O)cc12
InChIInChI=1S/C14H17FN2O2/c1-8-5-10(15)6-12-11(8)7-13(17-12)14(19)16-4-3-9(2)18/h5-7,9,17-18H,3-4H2,1-2H3,(H,16,19)
InChIKeyNFEWYXAPCAIBFQ-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.12
Rot. Bonds4

About 6-fluoro-N-(3-hydroxybutyl)-4-methyl-1H-indole-2-carboxamide

6-fluoro-N-(3-hydroxybutyl)-4-methyl-1H-indole-2-carboxamide (PubChem CID 111433448) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 6-fluoro-N-(3-hydroxybutyl)-4-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(3-hydroxybutyl)-4-methyl-1H-indole-2-carboxamide
PubChem CID111433448
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name6-fluoro-N-(3-hydroxybutyl)-4-methyl-1H-indole-2-carboxamide
SMILESCc1cc(F)cc2[nH]c(C(=O)NCCC(C)O)cc12
InChIInChI=1S/C14H17FN2O2/c1-8-5-10(15)6-12-11(8)7-13(17-12)14(19)16-4-3-9(2)18/h5-7,9,17-18H,3-4H2,1-2H3,(H,16,19)
InChIKeyNFEWYXAPCAIBFQ-UHFFFAOYSA-N
XLogP2.12
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid
CID 75513250
2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid
CID 119188123
3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 115659969
3-[[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]methyl]-3-hydroxycyclobutane-1-carboxylic acid
CID 166366620
3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119228024
4-chloro-6-fluoro-N-(2-fluoroethyl)-1H-indole-2-carboxamide
CID 155963978
6-fluoro-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-4-methyl-1H-indole-2-carboxamide
CID 167801273
4,6-dimethyl-N-[(2S)-2-methylbutyl]-1H-indole-2-carboxamide
CID 124674116
N-[[(2S,3S)-2-tert-butyloxan-3-yl]methyl]-6-fluoro-4-methyl-1H-indole-2-carboxamide
CID 99809059
4,6-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-1H-indole-2-carboxamide
CID 46420954
[(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(6-fluoro-4-methyl-1H-indol-2-yl)methanone
CID 155954106
N-(5-cyano-2-propan-2-yloxyphenyl)-6-fluoro-4-methyl-1H-indole-2-carboxamide
CID 86963762

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-hydroxybutyl)-4-methyl-1H-indole-2-carboxamide?
The IUPAC name of 6-fluoro-N-(3-hydroxybutyl)-4-methyl-1H-indole-2-carboxamide (CID 111433448) is 6-fluoro-N-(3-hydroxybutyl)-4-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(3-hydroxybutyl)-4-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(3-hydroxybutyl)-4-methyl-1H-indole-2-carboxamide is Cc1cc(F)cc2[nH]c(C(=O)NCCC(C)O)cc12.
What is the InChIKey of 6-fluoro-N-(3-hydroxybutyl)-4-methyl-1H-indole-2-carboxamide?
The InChIKey is NFEWYXAPCAIBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-8-5-10(15)6-12-11(8)7-13(17-12)14(19)16-4-3-9(2)18/h5-7,9,17-18H,3-4H2,1-2H3,(H,16,19).
What are the key properties of 6-fluoro-N-(3-hydroxybutyl)-4-methyl-1H-indole-2-carboxamide?
6-fluoro-N-(3-hydroxybutyl)-4-methyl-1H-indole-2-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-hydroxybutyl)-4-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 111433448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).