N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide

C16H22FNO2 — CID 60557792

IUPACN-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
SMILESCCOCCNC(=O)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C16H22FNO2/c1-2-20-11-10-18-15(19)16(8-3-4-9-16)13-6-5-7-14(17)12-13/h5-7,12H,2-4,8-11H2,1H3,(H,18,19)
InChIKeyLOGMRGRWQSDVJR-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.79
Rot. Bonds6

About N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide

N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 60557792) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID60557792
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC NameN-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
SMILESCCOCCNC(=O)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C16H22FNO2/c1-2-20-11-10-18-15(19)16(8-3-4-9-16)13-6-5-7-14(17)12-13/h5-7,12H,2-4,8-11H2,1H3,(H,18,19)
InChIKeyLOGMRGRWQSDVJR-UHFFFAOYSA-N
XLogP2.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-amino-2-oxoethoxy)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 75381149
1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119495759
N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 120651377
N-[2-[(S)-tert-butylsulfinyl]ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 95623396
N-(2-ethoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 51092273
3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249767
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
1-(4-fluorophenyl)-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 112537817
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692
N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 119639919

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide (CID 60557792) is N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide is CCOCCNC(=O)C1(c2cccc(F)c2)CCCC1.
What is the InChIKey of N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is LOGMRGRWQSDVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-2-20-11-10-18-15(19)16(8-3-4-9-16)13-6-5-7-14(17)12-13/h5-7,12H,2-4,8-11H2,1H3,(H,18,19).
What are the key properties of N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 60557792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).