2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide

C16H22FNO3 — CID 134009740

IUPAC2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide
SMILESCOCCOCCCNC(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C16H22FNO3/c1-20-9-10-21-8-2-7-18-16(19)15-11-14(15)12-3-5-13(17)6-4-12/h3-6,14-15H,2,7-11H2,1H3,(H,18,19)
InChIKeyNYFMKODRZAIOFG-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.10
Rot. Bonds9

About 2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide

2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide (PubChem CID 134009740) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide
PubChem CID134009740
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide
SMILESCOCCOCCCNC(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C16H22FNO3/c1-20-9-10-21-8-2-7-18-16(19)15-11-14(15)12-3-5-13(17)6-4-12/h3-6,14-15H,2,7-11H2,1H3,(H,18,19)
InChIKeyNYFMKODRZAIOFG-UHFFFAOYSA-N
XLogP2.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974582
1-N-[2-(4-fluorophenyl)ethyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133116
(3R,4R)-1-(4-fluorobenzoyl)-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 93149659
2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide
CID 56534973
methyl 3-[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoate
CID 97010209
cis-(1S,2R)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 124795448
trans-(1R,2R)-2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide
CID 94798725
2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide
CID 47089784
2-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
CID 120889999
methyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95271586
3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249836
trans-(1R,2R)-N-[(2,5-difluorophenyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 136583904

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide (CID 134009740) is 2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide is COCCOCCCNC(=O)C1CC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide?
The InChIKey is NYFMKODRZAIOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-20-9-10-21-8-2-7-18-16(19)15-11-14(15)12-3-5-13(17)6-4-12/h3-6,14-15H,2,7-11H2,1H3,(H,18,19).
What are the key properties of 2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide?
2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134009740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).