N-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate

C14H9F3NO2- — CID 152781290

IUPACN-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate
SMILESO=C([O-])Nc1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)10-7-5-9(6-8-10)11-3-1-2-4-12(11)18-13(19)20/h1-8,18H,(H,19,20)/p-1
InChIKeyIGRSYXMTPUXDOZ-UHFFFAOYSA-M
MW280.23 g/mol
LogP3.13
Rot. Bonds2

About N-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate

N-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate (PubChem CID 152781290) has the molecular formula C14H9F3NO2- and a molecular weight of 280.23 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate
PubChem CID152781290
Molecular FormulaC14H9F3NO2-
Molecular Weight280.23 g/mol
Exact Mass280.06
IUPAC NameN-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate
SMILESO=C([O-])Nc1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)10-7-5-9(6-8-10)11-3-1-2-4-12(11)18-13(19)20/h1-8,18H,(H,19,20)/p-1
InChIKeyIGRSYXMTPUXDOZ-UHFFFAOYSA-M
XLogP3.13
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 16680132
N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2121231
1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea
CID 22011313
5-fluoro-1-methyl-3-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 87620755
2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142
1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2421688
2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 169108707
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylphenyl)acetamide
CID 2477086
1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol
CID 169108594
N-quinolin-2-yl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 69267048
1-nitro-2-[4-(trifluoromethyl)phenyl]benzene
CID 22625277
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2441220

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate?
The IUPAC name of N-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate (CID 152781290) is N-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate.
What is the SMILES notation for N-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate?
The canonical SMILES for N-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate is O=C([O-])Nc1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate?
The InChIKey is IGRSYXMTPUXDOZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)10-7-5-9(6-8-10)11-3-1-2-4-12(11)18-13(19)20/h1-8,18H,(H,19,20)/p-1.
What are the key properties of N-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate?
N-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate has a molecular weight of 280.23 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate is sourced from PubChem (CID 152781290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).