N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxypropanamide

C19H19FN2O2 — CID 56874089

IUPACN-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxypropanamide
SMILESCc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)C(C)O)cc12
InChIInChI=1S/C19H19FN2O2/c1-11-16-9-13(10-21-19(24)12(2)23)3-8-17(16)22-18(11)14-4-6-15(20)7-5-14/h3-9,12,22-23H,10H2,1-2H3,(H,21,24)
InChIKeyKHRYQFXBUXQRNH-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.28
Rot. Bonds4

About N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxypropanamide

N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxypropanamide (PubChem CID 56874089) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxypropanamide
PubChem CID56874089
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxypropanamide
SMILESCc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)C(C)O)cc12
InChIInChI=1S/C19H19FN2O2/c1-11-16-9-13(10-21-19(24)12(2)23)3-8-17(16)22-18(11)14-4-6-15(20)7-5-14/h3-9,12,22-23H,10H2,1-2H3,(H,21,24)
InChIKeyKHRYQFXBUXQRNH-UHFFFAOYSA-N
XLogP3.28
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-methyl-3-morpholin-4-ylpropanamide
CID 96574491
N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 56865929
N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 56868490
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxybutanamide
CID 56864638
2-N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-4-N-methylpyrimidine-2,4-diamine
CID 56863644
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 26390650
2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid
CID 5212090
6-fluoro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one
CID 131850823
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 56862846
2-(diethylamino)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-phenylacetamide
CID 56552524
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide
CID 42288017

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxypropanamide?
The IUPAC name of N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxypropanamide (CID 56874089) is N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxypropanamide?
The canonical SMILES for N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxypropanamide is Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)C(C)O)cc12.
What is the InChIKey of N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxypropanamide?
The InChIKey is KHRYQFXBUXQRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-11-16-9-13(10-21-19(24)12(2)23)3-8-17(16)22-18(11)14-4-6-15(20)7-5-14/h3-9,12,22-23H,10H2,1-2H3,(H,21,24).
What are the key properties of N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxypropanamide?
N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxypropanamide has a molecular weight of 326.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxypropanamide is sourced from PubChem (CID 56874089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).