ethyl 1-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate

C14H16FNO3 — CID 44541628

IUPACethyl 1-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H16FNO3/c1-2-19-13(18)14(7-8-14)12(17)16-9-10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H,16,17)
InChIKeyIZEKRAPZRSPJIO-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.79
Rot. Bonds5

About ethyl 1-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate

ethyl 1-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate (PubChem CID 44541628) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is ethyl 1-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate
PubChem CID44541628
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Nameethyl 1-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H16FNO3/c1-2-19-13(18)14(7-8-14)12(17)16-9-10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H,16,17)
InChIKeyIZEKRAPZRSPJIO-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80592729
ethyl 4-[[1-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 108975803
ethyl 1-[[(4-fluorophenyl)methylamino]methyl]cyclopropane-1-carboxylate
CID 59555492
1-N'-tert-butyl-1-N-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975813
1-N-[(4-fluorophenyl)methyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975053
methyl 1-[(3-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate
CID 115184452
methyl 1-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate
CID 115184435
1-[(4-fluorophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097119
1-N'-[(4-fluorophenyl)methyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970806
1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 55037907
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80587002
ethyl 4-[(4-fluorophenyl)methylamino]-4-oxobutanoate
CID 60637699

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate (CID 44541628) is ethyl 1-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate is CCOC(=O)C1(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 1-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate?
The InChIKey is IZEKRAPZRSPJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-2-19-13(18)14(7-8-14)12(17)16-9-10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H,16,17).
What are the key properties of ethyl 1-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate?
ethyl 1-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate has a molecular weight of 265.28 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 44541628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).