(2-cyanophenyl) N-[4-(trifluoromethoxy)phenyl]carbamate

C15H9F3N2O3 — CID 155548457

IUPAC(2-cyanophenyl) N-[4-(trifluoromethoxy)phenyl]carbamate
SMILESN#Cc1ccccc1OC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H9F3N2O3/c16-15(17,18)23-12-7-5-11(6-8-12)20-14(21)22-13-4-2-1-3-10(13)9-19/h1-8H,(H,20,21)
InChIKeyYONMTZYVNCIQMW-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.07
Rot. Bonds3

About (2-cyanophenyl) N-[4-(trifluoromethoxy)phenyl]carbamate

(2-cyanophenyl) N-[4-(trifluoromethoxy)phenyl]carbamate (PubChem CID 155548457) has the molecular formula C15H9F3N2O3 and a molecular weight of 322.24 g/mol. Its IUPAC name is (2-cyanophenyl) N-[4-(trifluoromethoxy)phenyl]carbamate.

Molecular Properties

Compound Name(2-cyanophenyl) N-[4-(trifluoromethoxy)phenyl]carbamate
PubChem CID155548457
Molecular FormulaC15H9F3N2O3
Molecular Weight322.24 g/mol
Exact Mass322.06
IUPAC Name(2-cyanophenyl) N-[4-(trifluoromethoxy)phenyl]carbamate
SMILESN#Cc1ccccc1OC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H9F3N2O3/c16-15(17,18)23-12-7-5-11(6-8-12)20-14(21)22-13-4-2-1-3-10(13)9-19/h1-8H,(H,20,21)
InChIKeyYONMTZYVNCIQMW-UHFFFAOYSA-N
XLogP4.07
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 134102882
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
2-(2-methylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133166532
(1,1,1-trifluoro-3-phenylpropan-2-yl) N-[4-(trifluoromethoxy)phenyl]carbamate
CID 2740463
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
(2-cyanophenyl) 4-fluorobenzoate
CID 7934940
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-cyanophenoxy)acetate
CID 2124208
[4-(trifluoromethoxy)phenyl] N-aminocarbamate
CID 143175748
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-cyanophenoxy)acetate
CID 7843207
2-(cyanomethylsulfanyl)-N-[4-(2-cyanophenoxy)phenyl]acetamide
CID 51092504
(4-benzamidophenyl) 2-(2-cyanophenoxy)acetate
CID 8917446

Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl) N-[4-(trifluoromethoxy)phenyl]carbamate?
The IUPAC name of (2-cyanophenyl) N-[4-(trifluoromethoxy)phenyl]carbamate (CID 155548457) is (2-cyanophenyl) N-[4-(trifluoromethoxy)phenyl]carbamate.
What is the SMILES notation for (2-cyanophenyl) N-[4-(trifluoromethoxy)phenyl]carbamate?
The canonical SMILES for (2-cyanophenyl) N-[4-(trifluoromethoxy)phenyl]carbamate is N#Cc1ccccc1OC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2-cyanophenyl) N-[4-(trifluoromethoxy)phenyl]carbamate?
The InChIKey is YONMTZYVNCIQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O3/c16-15(17,18)23-12-7-5-11(6-8-12)20-14(21)22-13-4-2-1-3-10(13)9-19/h1-8H,(H,20,21).
What are the key properties of (2-cyanophenyl) N-[4-(trifluoromethoxy)phenyl]carbamate?
(2-cyanophenyl) N-[4-(trifluoromethoxy)phenyl]carbamate has a molecular weight of 322.24 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanophenyl) N-[4-(trifluoromethoxy)phenyl]carbamate is sourced from PubChem (CID 155548457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).