benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate

C17H16FNO2 — CID 53216887

IUPACbenzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate
SMILESO=C(NC1(c2ccc(F)cc2)CC1)OCc1ccccc1
InChIInChI=1S/C17H16FNO2/c18-15-8-6-14(7-9-15)17(10-11-17)19-16(20)21-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,20)
InChIKeyIGJYPXXIOMBUNS-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.74
Rot. Bonds4

About benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate

benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate (PubChem CID 53216887) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate
PubChem CID53216887
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Namebenzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate
SMILESO=C(NC1(c2ccc(F)cc2)CC1)OCc1ccccc1
InChIInChI=1S/C17H16FNO2/c18-15-8-6-14(7-9-15)17(10-11-17)19-16(20)21-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,20)
InChIKeyIGJYPXXIOMBUNS-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate
CID 59226068
4-[1-(phenylmethoxycarbonylamino)cyclopropyl]benzoic acid
CID 165466082
benzyl N-[1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]cyclopropyl]carbamate
CID 90280235
benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2381331
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
benzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate
CID 171107393
benzyl N-[2-[[1-[4-[(1S)-1-aminoethyl]phenyl]-4,4-difluorocyclohexyl]amino]-2-oxoethyl]carbamate
CID 156734417
ethyl 2,3,5-trifluoro-4-[1-(phenylmethoxycarbonylamino)cyclopropyl]benzoate
CID 10363157
benzyl N-[(3-fluoropyrrolidin-3-yl)methyl]carbamate
CID 118798402
benzyl N-[4-[4-(2-ethoxy-3-pyridinyl)phenyl]piperidin-4-yl]carbamate
CID 156502523
4-(2-chloroethoxycarbonylamino)-4-(4-fluorophenyl)piperidine-1-carboxylic acid
CID 69339806
benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate
CID 117045632

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate?
The IUPAC name of benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate (CID 53216887) is benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate.
What is the SMILES notation for benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate?
The canonical SMILES for benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate is O=C(NC1(c2ccc(F)cc2)CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate?
The InChIKey is IGJYPXXIOMBUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-15-8-6-14(7-9-15)17(10-11-17)19-16(20)21-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,20).
What are the key properties of benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate?
benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate has a molecular weight of 285.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate is sourced from PubChem (CID 53216887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).