benzyl (NE)-N-[(4-fluorophenyl)methylidene]carbamate

C15H12FNO2 — CID 24906131

IUPACbenzyl (NE)-N-[(4-fluorophenyl)methylidene]carbamate
SMILESO=C(/N=C/c1ccc(F)cc1)OCc1ccccc1
InChIInChI=1S/C15H12FNO2/c16-14-8-6-12(7-9-14)10-17-15(18)19-11-13-4-2-1-3-5-13/h1-10H,11H2/b17-10+
InChIKeyNKWKOKRVDZUHTA-LICLKQGHSA-N
MW257.26 g/mol
LogP3.58
Rot. Bonds3

About benzyl (NE)-N-[(4-fluorophenyl)methylidene]carbamate

benzyl (NE)-N-[(4-fluorophenyl)methylidene]carbamate (PubChem CID 24906131) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is benzyl (NE)-N-[(4-fluorophenyl)methylidene]carbamate.

Molecular Properties

Compound Namebenzyl (NE)-N-[(4-fluorophenyl)methylidene]carbamate
PubChem CID24906131
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Namebenzyl (NE)-N-[(4-fluorophenyl)methylidene]carbamate
SMILESO=C(/N=C/c1ccc(F)cc1)OCc1ccccc1
InChIInChI=1S/C15H12FNO2/c16-14-8-6-12(7-9-14)10-17-15(18)19-11-13-4-2-1-3-5-13/h1-10H,11H2/b17-10+
InChIKeyNKWKOKRVDZUHTA-LICLKQGHSA-N
XLogP3.58
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Oxazole, 2-(3-fluorophenyl)-4,5-dihydro-
CID 11412578
2-Fluoro-1-(4,5-dihydrooxazol-2-yl)benzene
CID 54429599
N-phenylmethoxycarbonyltrifluoromethylketenimine
CID 129810430
benzyl (NZ)-N-[[4-(trifluoromethyl)phenyl]methylidene]carbamate
CID 135019829
benzyl (NE)-N-[[4-(trifluoromethyl)phenyl]methylidene]carbamate
CID 135075983
[(E)-benzylideneamino] (4-fluorophenyl)methyl carbonate
CID 139042553
[(E)-benzylideneamino] (2,3,4,5,6-pentafluorophenyl)methyl carbonate
CID 139042555
benzyl (E)-N-(trifluoromethyl)benzenecarboximidate
CID 176438460
N-(2-oxo-2-phenylmethoxyethyl)-1-phenylmethanimine oxide
CID 5894161
Benzyl benzylidenecarbamate
CID 10681461
Benzyl 2-(benzylideneamino)acetate
CID 19895302
5-Phenyloxazolin-2-one
CID 21815327

Frequently Asked Questions

What is the IUPAC name of benzyl (NE)-N-[(4-fluorophenyl)methylidene]carbamate?
The IUPAC name of benzyl (NE)-N-[(4-fluorophenyl)methylidene]carbamate (CID 24906131) is benzyl (NE)-N-[(4-fluorophenyl)methylidene]carbamate.
What is the SMILES notation for benzyl (NE)-N-[(4-fluorophenyl)methylidene]carbamate?
The canonical SMILES for benzyl (NE)-N-[(4-fluorophenyl)methylidene]carbamate is O=C(/N=C/c1ccc(F)cc1)OCc1ccccc1.
What is the InChIKey of benzyl (NE)-N-[(4-fluorophenyl)methylidene]carbamate?
The InChIKey is NKWKOKRVDZUHTA-LICLKQGHSA-N. The full InChI is InChI=1S/C15H12FNO2/c16-14-8-6-12(7-9-14)10-17-15(18)19-11-13-4-2-1-3-5-13/h1-10H,11H2/b17-10+.
What are the key properties of benzyl (NE)-N-[(4-fluorophenyl)methylidene]carbamate?
benzyl (NE)-N-[(4-fluorophenyl)methylidene]carbamate has a molecular weight of 257.26 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (NE)-N-[(4-fluorophenyl)methylidene]carbamate is sourced from PubChem (CID 24906131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).