N-[[2-[[2-(2-fluorophenyl)acetyl]amino]cyclopentyl]methyl]prop-2-enamide

C17H21FN2O2 — CID 154881209

IUPACN-[[2-[[2-(2-fluorophenyl)acetyl]amino]cyclopentyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CCCC1NC(=O)Cc1ccccc1F
InChIInChI=1S/C17H21FN2O2/c1-2-16(21)19-11-13-7-5-9-15(13)20-17(22)10-12-6-3-4-8-14(12)18/h2-4,6,8,13,15H,1,5,7,9-11H2,(H,19,21)(H,20,22)
InChIKeyNBNYMTUDGMVTTB-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.96
Rot. Bonds6

About N-[[2-[[2-(2-fluorophenyl)acetyl]amino]cyclopentyl]methyl]prop-2-enamide

N-[[2-[[2-(2-fluorophenyl)acetyl]amino]cyclopentyl]methyl]prop-2-enamide (PubChem CID 154881209) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[[2-[[2-(2-fluorophenyl)acetyl]amino]cyclopentyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[2-[[2-(2-fluorophenyl)acetyl]amino]cyclopentyl]methyl]prop-2-enamide
PubChem CID154881209
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC NameN-[[2-[[2-(2-fluorophenyl)acetyl]amino]cyclopentyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CCCC1NC(=O)Cc1ccccc1F
InChIInChI=1S/C17H21FN2O2/c1-2-16(21)19-11-13-7-5-9-15(13)20-17(22)10-12-6-3-4-8-14(12)18/h2-4,6,8,13,15H,1,5,7,9-11H2,(H,19,21)(H,20,22)
InChIKeyNBNYMTUDGMVTTB-UHFFFAOYSA-N
XLogP1.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride
CID 119604124
cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 97028755
2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124794619
N-[2-(2-phenylethyl)cyclopentyl]prop-2-enamide
CID 146095230
2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64818051
2-fluoro-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]benzamide
CID 103856998
N-[2-(bromomethyl)cyclohexyl]-2-(2,6-difluorophenyl)acetamide
CID 106367286
N-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide
CID 114313972
N-[(2-chlorocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide
CID 114303281
2-[(2-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 61381499
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromophenyl)acetamide;hydrochloride
CID 119603681
N-(4-aminocyclohexyl)-2-(2-fluorophenyl)acetamide
CID 43653105

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[2-(2-fluorophenyl)acetyl]amino]cyclopentyl]methyl]prop-2-enamide?
The IUPAC name of N-[[2-[[2-(2-fluorophenyl)acetyl]amino]cyclopentyl]methyl]prop-2-enamide (CID 154881209) is N-[[2-[[2-(2-fluorophenyl)acetyl]amino]cyclopentyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[2-[[2-(2-fluorophenyl)acetyl]amino]cyclopentyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[2-[[2-(2-fluorophenyl)acetyl]amino]cyclopentyl]methyl]prop-2-enamide is C=CC(=O)NCC1CCCC1NC(=O)Cc1ccccc1F.
What is the InChIKey of N-[[2-[[2-(2-fluorophenyl)acetyl]amino]cyclopentyl]methyl]prop-2-enamide?
The InChIKey is NBNYMTUDGMVTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-2-16(21)19-11-13-7-5-9-15(13)20-17(22)10-12-6-3-4-8-14(12)18/h2-4,6,8,13,15H,1,5,7,9-11H2,(H,19,21)(H,20,22).
What are the key properties of N-[[2-[[2-(2-fluorophenyl)acetyl]amino]cyclopentyl]methyl]prop-2-enamide?
N-[[2-[[2-(2-fluorophenyl)acetyl]amino]cyclopentyl]methyl]prop-2-enamide has a molecular weight of 304.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[2-(2-fluorophenyl)acetyl]amino]cyclopentyl]methyl]prop-2-enamide is sourced from PubChem (CID 154881209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).