benzyl N-[[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]methyl]carbamate

C18H18FNO2 — CID 90226069

IUPACbenzyl N-[[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]methyl]carbamate
SMILESO=C(NC[C@H]1C[C@@H]1c1ccccc1F)OCc1ccccc1
InChIInChI=1S/C18H18FNO2/c19-17-9-5-4-8-15(17)16-10-14(16)11-20-18(21)22-12-13-6-2-1-3-7-13/h1-9,14,16H,10-12H2,(H,20,21)/t14-,16+/m1/s1
InChIKeyCNABWDXSRLRHAV-ZBFHGGJFSA-N
MW299.34 g/mol
LogP3.86
Rot. Bonds5

About benzyl N-[[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]methyl]carbamate

benzyl N-[[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]methyl]carbamate (PubChem CID 90226069) has the molecular formula C18H18FNO2 and a molecular weight of 299.34 g/mol. Its IUPAC name is benzyl N-[[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]methyl]carbamate
PubChem CID90226069
Molecular FormulaC18H18FNO2
Molecular Weight299.34 g/mol
Exact Mass299.13
IUPAC Namebenzyl N-[[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]methyl]carbamate
SMILESO=C(NC[C@H]1C[C@@H]1c1ccccc1F)OCc1ccccc1
InChIInChI=1S/C18H18FNO2/c19-17-9-5-4-8-15(17)16-10-14(16)11-20-18(21)22-12-13-6-2-1-3-7-13/h1-9,14,16H,10-12H2,(H,20,21)/t14-,16+/m1/s1
InChIKeyCNABWDXSRLRHAV-ZBFHGGJFSA-N
XLogP3.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[(2-pyrimidin-5-ylcyclopropyl)methyl]carbamate
CID 118512746
benzyl N-(cyclopropylmethyl)carbamate
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benzyl N-[[(3S,4S)-4-fluoropyrrolidin-3-yl]methyl]carbamate
CID 131116805
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
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benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate
CID 124634239
benzyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate
CID 70733572
benzyl N-[[(3R)-4-nitrosopyrrolidin-3-yl]methyl]carbamate
CID 91332106
benzyl N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]carbamate;hydrochloride
CID 168885230
benzyl N-[[(3S,4S)-3-(trifluoromethyl)piperidin-4-yl]methyl]carbamate
CID 124634254
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]methyl]carbamate?
The IUPAC name of benzyl N-[[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]methyl]carbamate (CID 90226069) is benzyl N-[[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]methyl]carbamate?
The canonical SMILES for benzyl N-[[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]methyl]carbamate is O=C(NC[C@H]1C[C@@H]1c1ccccc1F)OCc1ccccc1.
What is the InChIKey of benzyl N-[[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]methyl]carbamate?
The InChIKey is CNABWDXSRLRHAV-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-17-9-5-4-8-15(17)16-10-14(16)11-20-18(21)22-12-13-6-2-1-3-7-13/h1-9,14,16H,10-12H2,(H,20,21)/t14-,16+/m1/s1.
What are the key properties of benzyl N-[[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]methyl]carbamate?
benzyl N-[[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]methyl]carbamate has a molecular weight of 299.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]methyl]carbamate is sourced from PubChem (CID 90226069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).