3-acetamido-3-(2,4-difluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide

C17H22F2N2O3 — CID 111459564

IUPAC3-acetamido-3-(2,4-difluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
SMILESCC(=O)NC(CC(=O)NCC1(O)CCCC1)c1ccc(F)cc1F
InChIInChI=1S/C17H22F2N2O3/c1-11(22)21-15(13-5-4-12(18)8-14(13)19)9-16(23)20-10-17(24)6-2-3-7-17/h4-5,8,15,24H,2-3,6-7,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyFVWJGZVEYPXJTL-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.95
Rot. Bonds6

About 3-acetamido-3-(2,4-difluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide

3-acetamido-3-(2,4-difluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide (PubChem CID 111459564) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is 3-acetamido-3-(2,4-difluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(2,4-difluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
PubChem CID111459564
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC Name3-acetamido-3-(2,4-difluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
SMILESCC(=O)NC(CC(=O)NCC1(O)CCCC1)c1ccc(F)cc1F
InChIInChI=1S/C17H22F2N2O3/c1-11(22)21-15(13-5-4-12(18)8-14(13)19)9-16(23)20-10-17(24)6-2-3-7-17/h4-5,8,15,24H,2-3,6-7,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyFVWJGZVEYPXJTL-UHFFFAOYSA-N
XLogP1.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide
CID 119382823
3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide
CID 119430545
3-acetamido-3-(2,4-difluorophenyl)-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119500924
1-[1-(2,4-difluorophenyl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936421
3-acetamido-N-[2-(aminomethyl)cyclopentyl]-3-(2,4-difluorophenyl)propanamide
CID 119601624
3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 110000728
3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576940
2-[[3-acetamido-3-(2,4-difluorophenyl)propanoyl]-cyclopropylamino]propanoic acid
CID 122067212
3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601784
3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide
CID 115643278
N-[cyano-(2,4-difluorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111538103
1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 61238526

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(2,4-difluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 3-acetamido-3-(2,4-difluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide (CID 111459564) is 3-acetamido-3-(2,4-difluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(2,4-difluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 3-acetamido-3-(2,4-difluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide is CC(=O)NC(CC(=O)NCC1(O)CCCC1)c1ccc(F)cc1F.
What is the InChIKey of 3-acetamido-3-(2,4-difluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is FVWJGZVEYPXJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c1-11(22)21-15(13-5-4-12(18)8-14(13)19)9-16(23)20-10-17(24)6-2-3-7-17/h4-5,8,15,24H,2-3,6-7,9-10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-acetamido-3-(2,4-difluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide?
3-acetamido-3-(2,4-difluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 340.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(2,4-difluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 111459564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).