3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide

C16H19F3N2O3 — CID 113117440

IUPAC3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1F)CC1CCCO1
InChIInChI=1S/C16H19F3N2O3/c1-10(22)21(9-11-3-2-8-24-11)7-6-14(23)20-13-5-4-12(17)15(18)16(13)19/h4-5,11H,2-3,6-9H2,1H3,(H,20,23)
InChIKeyYKTZGEDNKSRTMK-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.46
Rot. Bonds6

About 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide

3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 113117440) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID113117440
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1F)CC1CCCO1
InChIInChI=1S/C16H19F3N2O3/c1-10(22)21(9-11-3-2-8-24-11)7-6-14(23)20-13-5-4-12(17)15(18)16(13)19/h4-5,11H,2-3,6-9H2,1H3,(H,20,23)
InChIKeyYKTZGEDNKSRTMK-UHFFFAOYSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea
CID 95258347
3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2-tert-butylphenyl)propanamide
CID 113117359
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113117399
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 113117423
methyl-[[(2R)-oxan-2-yl]methyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197476
methyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 8550006
N-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
CID 61431161
3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113117320
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 113123284
2-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 113160372
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113117294
1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109045697

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide (CID 113117440) is 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1F)CC1CCCO1.
What is the InChIKey of 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is YKTZGEDNKSRTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-10(22)21(9-11-3-2-8-24-11)7-6-14(23)20-13-5-4-12(17)15(18)16(13)19/h4-5,11H,2-3,6-9H2,1H3,(H,20,23).
What are the key properties of 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide?
3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 344.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 113117440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).