phenyl N-[3-chloro-5-(trifluoromethoxy)phenyl]carbamate

C14H9ClF3NO3 — CID 164584375

IUPACphenyl N-[3-chloro-5-(trifluoromethoxy)phenyl]carbamate
SMILESO=C(Nc1cc(Cl)cc(OC(F)(F)F)c1)Oc1ccccc1
InChIInChI=1S/C14H9ClF3NO3/c15-9-6-10(8-12(7-9)22-14(16,17)18)19-13(20)21-11-4-2-1-3-5-11/h1-8H,(H,19,20)
InChIKeyHJSIMBMUYLIQNO-UHFFFAOYSA-N
MW331.68 g/mol
LogP4.85
Rot. Bonds3

About phenyl N-[3-chloro-5-(trifluoromethoxy)phenyl]carbamate

phenyl N-[3-chloro-5-(trifluoromethoxy)phenyl]carbamate (PubChem CID 164584375) has the molecular formula C14H9ClF3NO3 and a molecular weight of 331.68 g/mol. Its IUPAC name is phenyl N-[3-chloro-5-(trifluoromethoxy)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-chloro-5-(trifluoromethoxy)phenyl]carbamate
PubChem CID164584375
Molecular FormulaC14H9ClF3NO3
Molecular Weight331.68 g/mol
Exact Mass331.02
IUPAC Namephenyl N-[3-chloro-5-(trifluoromethoxy)phenyl]carbamate
SMILESO=C(Nc1cc(Cl)cc(OC(F)(F)F)c1)Oc1ccccc1
InChIInChI=1S/C14H9ClF3NO3/c15-9-6-10(8-12(7-9)22-14(16,17)18)19-13(20)21-11-4-2-1-3-5-11/h1-8H,(H,19,20)
InChIKeyHJSIMBMUYLIQNO-UHFFFAOYSA-N
XLogP4.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.68
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-[2-chloro-5-(trifluoromethoxy)phenyl]carbamate
CID 164583961
phenyl N-[4-chloro-3-(trifluoromethoxy)phenyl]carbamate
CID 118233955
1-[3-chloro-5-(trifluoromethoxy)phenyl]-3-(2,6-dichloro-4-pyridinyl)urea
CID 175721929
3,5-bis[(4-chlorophenoxy)carbonylamino]benzoic acid
CID 67542680
1-[3-bromo-2-(hydroxymethyl)phenyl]-3-[3-chloro-5-(trifluoromethoxy)phenyl]urea
CID 166747576
phenyl N-(4-iodophenyl)carbamate
CID 73442286
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105214
3,5-dichloro-4-(phenoxycarbonylamino)benzoic acid
CID 82811858
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
phenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate
CID 66876567
phenyl N-(6-fluoro-3-pyridinyl)carbamate
CID 59313675

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-chloro-5-(trifluoromethoxy)phenyl]carbamate?
The IUPAC name of phenyl N-[3-chloro-5-(trifluoromethoxy)phenyl]carbamate (CID 164584375) is phenyl N-[3-chloro-5-(trifluoromethoxy)phenyl]carbamate.
What is the SMILES notation for phenyl N-[3-chloro-5-(trifluoromethoxy)phenyl]carbamate?
The canonical SMILES for phenyl N-[3-chloro-5-(trifluoromethoxy)phenyl]carbamate is O=C(Nc1cc(Cl)cc(OC(F)(F)F)c1)Oc1ccccc1.
What is the InChIKey of phenyl N-[3-chloro-5-(trifluoromethoxy)phenyl]carbamate?
The InChIKey is HJSIMBMUYLIQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO3/c15-9-6-10(8-12(7-9)22-14(16,17)18)19-13(20)21-11-4-2-1-3-5-11/h1-8H,(H,19,20).
What are the key properties of phenyl N-[3-chloro-5-(trifluoromethoxy)phenyl]carbamate?
phenyl N-[3-chloro-5-(trifluoromethoxy)phenyl]carbamate has a molecular weight of 331.68 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-chloro-5-(trifluoromethoxy)phenyl]carbamate is sourced from PubChem (CID 164584375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).