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

C20H21FN2O2 — CID 56864638

IUPACN-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxybutanamide
SMILESCCC(O)C(=O)NCc1ccc2[nH]c(-c3ccccc3F)c(C)c2c1
InChIInChI=1S/C20H21FN2O2/c1-3-18(24)20(25)22-11-13-8-9-17-15(10-13)12(2)19(23-17)14-6-4-5-7-16(14)21/h4-10,18,23-24H,3,11H2,1-2H3,(H,22,25)
InChIKeyXIIVRPOUXHFDEK-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.67
Rot. Bonds5

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

N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxybutanamide (PubChem CID 56864638) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxybutanamide.

Molecular Properties

Compound NameN-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxybutanamide
PubChem CID56864638
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxybutanamide
SMILESCCC(O)C(=O)NCc1ccc2[nH]c(-c3ccccc3F)c(C)c2c1
InChIInChI=1S/C20H21FN2O2/c1-3-18(24)20(25)22-11-13-8-9-17-15(10-13)12(2)19(23-17)14-6-4-5-7-16(14)21/h4-10,18,23-24H,3,11H2,1-2H3,(H,22,25)
InChIKeyXIIVRPOUXHFDEK-UHFFFAOYSA-N
XLogP3.67
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 56862846
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 70730908
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 42525375
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide
CID 42288017
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]cyclopropanesulfonamide
CID 56874713
N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxypropanamide
CID 56874089
2-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide
CID 175822055
2-N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-2,4-diamine
CID 56876919
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-4-sulfonamide
CID 56874111
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 56875537
2-(diethylamino)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-phenylacetamide
CID 56552524
N-[2-(dimethylamino)ethyl]-5-ethyl-3-(2-fluorophenyl)-1H-indole-2-carboxamide
CID 21445480

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxybutanamide?
The IUPAC name of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxybutanamide (CID 56864638) is N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxybutanamide.
What is the SMILES notation for N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxybutanamide?
The canonical SMILES for N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxybutanamide is CCC(O)C(=O)NCc1ccc2[nH]c(-c3ccccc3F)c(C)c2c1.
What is the InChIKey of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxybutanamide?
The InChIKey is XIIVRPOUXHFDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-3-18(24)20(25)22-11-13-8-9-17-15(10-13)12(2)19(23-17)14-6-4-5-7-16(14)21/h4-10,18,23-24H,3,11H2,1-2H3,(H,22,25).
What are the key properties of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxybutanamide?
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxybutanamide has a molecular weight of 340.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxybutanamide is sourced from PubChem (CID 56864638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).