2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)-N-(4,4-dihydroxybutyl)acetamide

C19H25FN2O4 — CID 170376503

IUPAC2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)-N-(4,4-dihydroxybutyl)acetamide
SMILESCC1(C)C(=O)N(CC(=O)NCCCC(O)O)c2c(F)cc(C3CC3)cc21
InChIInChI=1S/C19H25FN2O4/c1-19(2)13-8-12(11-5-6-11)9-14(20)17(13)22(18(19)26)10-15(23)21-7-3-4-16(24)25/h8-9,11,16,24-25H,3-7,10H2,1-2H3,(H,21,23)
InChIKeyLEEVMFOZPHDGGE-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.53
Rot. Bonds7

About 2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)-N-(4,4-dihydroxybutyl)acetamide

2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)-N-(4,4-dihydroxybutyl)acetamide (PubChem CID 170376503) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)-N-(4,4-dihydroxybutyl)acetamide.

Molecular Properties

Compound Name2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)-N-(4,4-dihydroxybutyl)acetamide
PubChem CID170376503
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC Name2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)-N-(4,4-dihydroxybutyl)acetamide
SMILESCC1(C)C(=O)N(CC(=O)NCCCC(O)O)c2c(F)cc(C3CC3)cc21
InChIInChI=1S/C19H25FN2O4/c1-19(2)13-8-12(11-5-6-11)9-14(20)17(13)22(18(19)26)10-15(23)21-7-3-4-16(24)25/h8-9,11,16,24-25H,3-7,10H2,1-2H3,(H,21,23)
InChIKeyLEEVMFOZPHDGGE-UHFFFAOYSA-N
XLogP1.53
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(5-cyclopropyl-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[3-(2H-tetrazol-5-yl)propyl]acetamide
CID 170324322
4-[[2-(5-cyclopentyl-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid
CID 170376464
(3R,4R)-4-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]-3-(trifluoromethyl)pentanoic acid
CID 170324114
N-butyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 19241424
N-(4-hydroxypentyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 107299809
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 91945450
(3S)-4-[[2-[4,7-difluoro-3,3-dimethyl-2-oxo-5-(trifluoromethyl)indol-1-yl]acetyl]amino]-3-fluorobutanoic acid
CID 170324319
N-[(5-bromo-2-fluorophenyl)methyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 95602649
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide
CID 94818608
methyl 4-[[2-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoate
CID 170324171
2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide
CID 7962163
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide
CID 110279612

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)-N-(4,4-dihydroxybutyl)acetamide?
The IUPAC name of 2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)-N-(4,4-dihydroxybutyl)acetamide (CID 170376503) is 2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)-N-(4,4-dihydroxybutyl)acetamide.
What is the SMILES notation for 2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)-N-(4,4-dihydroxybutyl)acetamide?
The canonical SMILES for 2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)-N-(4,4-dihydroxybutyl)acetamide is CC1(C)C(=O)N(CC(=O)NCCCC(O)O)c2c(F)cc(C3CC3)cc21.
What is the InChIKey of 2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)-N-(4,4-dihydroxybutyl)acetamide?
The InChIKey is LEEVMFOZPHDGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4/c1-19(2)13-8-12(11-5-6-11)9-14(20)17(13)22(18(19)26)10-15(23)21-7-3-4-16(24)25/h8-9,11,16,24-25H,3-7,10H2,1-2H3,(H,21,23).
What are the key properties of 2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)-N-(4,4-dihydroxybutyl)acetamide?
2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)-N-(4,4-dihydroxybutyl)acetamide has a molecular weight of 364.42 g/mol, XLogP of 1.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)-N-(4,4-dihydroxybutyl)acetamide is sourced from PubChem (CID 170376503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).