1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide

C14H18FNO2 — CID 82726303

IUPAC1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide
SMILESCC(C)(C)ONC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO2/c1-13(2,3)18-16-12(17)14(8-9-14)10-4-6-11(15)7-5-10/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeySSMZTVZETNTAMW-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.70
Rot. Bonds3

About 1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide (PubChem CID 82726303) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide
PubChem CID82726303
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide
SMILESCC(C)(C)ONC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO2/c1-13(2,3)18-16-12(17)14(8-9-14)10-4-6-11(15)7-5-10/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeySSMZTVZETNTAMW-UHFFFAOYSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
CID 43467516
2-cyclopropyl-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 43360385
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide
CID 103772448
N-(2-amino-2-ethylbutyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119643741
1-(4-fluorophenyl)-N-(2-hydroxy-2,3-dimethylbutyl)cyclopropane-1-carboxamide
CID 111484002
N-(2-tert-butylphenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 113198352
bis[1-(4-fluorophenyl)cyclopropyl]methanone
CID 68859453
tert-butyl N-[2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-(2-methoxyethyl)carbamate
CID 75396673
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 103840217
butyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate
CID 112725171
1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide
CID 112558390
3-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250298

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide (CID 82726303) is 1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide is CC(C)(C)ONC(=O)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide?
The InChIKey is SSMZTVZETNTAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-13(2,3)18-16-12(17)14(8-9-14)10-4-6-11(15)7-5-10/h4-7H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide is sourced from PubChem (CID 82726303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).