3-acetamido-N-[2-(aminomethyl)cyclopentyl]-3-(2,4-difluorophenyl)propanamide

C17H23F2N3O2 — CID 119601624

IUPAC3-acetamido-N-[2-(aminomethyl)cyclopentyl]-3-(2,4-difluorophenyl)propanamide
SMILESCC(=O)NC(CC(=O)NC1CCCC1CN)c1ccc(F)cc1F
InChIInChI=1S/C17H23F2N3O2/c1-10(23)21-16(13-6-5-12(18)7-14(13)19)8-17(24)22-15-4-2-3-11(15)9-20/h5-7,11,15-16H,2-4,8-9,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyGYTHYAMMGIKNMI-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.78
Rot. Bonds6

About 3-acetamido-N-[2-(aminomethyl)cyclopentyl]-3-(2,4-difluorophenyl)propanamide

3-acetamido-N-[2-(aminomethyl)cyclopentyl]-3-(2,4-difluorophenyl)propanamide (PubChem CID 119601624) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-acetamido-N-[2-(aminomethyl)cyclopentyl]-3-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(aminomethyl)cyclopentyl]-3-(2,4-difluorophenyl)propanamide
PubChem CID119601624
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name3-acetamido-N-[2-(aminomethyl)cyclopentyl]-3-(2,4-difluorophenyl)propanamide
SMILESCC(=O)NC(CC(=O)NC1CCCC1CN)c1ccc(F)cc1F
InChIInChI=1S/C17H23F2N3O2/c1-10(23)21-16(13-6-5-12(18)7-14(13)19)8-17(24)22-15-4-2-3-11(15)9-20/h5-7,11,15-16H,2-4,8-9,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyGYTHYAMMGIKNMI-UHFFFAOYSA-N
XLogP1.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576940
3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide
CID 119382823
3-acetamido-3-(2,4-difluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111459564
3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601784
3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 110000728
N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 119604718
N-[2-(aminomethyl)cyclohexyl]-2-(2,4-difluorophenoxy)acetamide
CID 119610188
2-[[3-acetamido-3-(2,4-difluorophenyl)propanoyl]-cyclopropylamino]propanoic acid
CID 122067212
3-acetamido-3-(2,4-difluorophenyl)-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119500924
3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide
CID 119430545
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,4-difluorophenyl)-3-oxopropyl]acetamide;hydrochloride
CID 120816478
N-[1-(2,4-difluorophenyl)-3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride
CID 119560695

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(aminomethyl)cyclopentyl]-3-(2,4-difluorophenyl)propanamide?
The IUPAC name of 3-acetamido-N-[2-(aminomethyl)cyclopentyl]-3-(2,4-difluorophenyl)propanamide (CID 119601624) is 3-acetamido-N-[2-(aminomethyl)cyclopentyl]-3-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-[2-(aminomethyl)cyclopentyl]-3-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-acetamido-N-[2-(aminomethyl)cyclopentyl]-3-(2,4-difluorophenyl)propanamide is CC(=O)NC(CC(=O)NC1CCCC1CN)c1ccc(F)cc1F.
What is the InChIKey of 3-acetamido-N-[2-(aminomethyl)cyclopentyl]-3-(2,4-difluorophenyl)propanamide?
The InChIKey is GYTHYAMMGIKNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-10(23)21-16(13-6-5-12(18)7-14(13)19)8-17(24)22-15-4-2-3-11(15)9-20/h5-7,11,15-16H,2-4,8-9,20H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-acetamido-N-[2-(aminomethyl)cyclopentyl]-3-(2,4-difluorophenyl)propanamide?
3-acetamido-N-[2-(aminomethyl)cyclopentyl]-3-(2,4-difluorophenyl)propanamide has a molecular weight of 339.39 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(aminomethyl)cyclopentyl]-3-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 119601624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).