(2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate

C15H10Cl2F3NO2 — CID 4162168

IUPAC(2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1cccc(C(F)(F)F)c1)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2F3NO2/c16-11-5-4-9(13(17)7-11)8-23-14(22)21-12-3-1-2-10(6-12)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyQQEIXMBOIRMRRG-UHFFFAOYSA-N
MW364.15 g/mol
LogP5.76
Rot. Bonds3

About (2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate

(2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate (PubChem CID 4162168) has the molecular formula C15H10Cl2F3NO2 and a molecular weight of 364.15 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate
PubChem CID4162168
Molecular FormulaC15H10Cl2F3NO2
Molecular Weight364.15 g/mol
Exact Mass363.00
IUPAC Name(2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1cccc(C(F)(F)F)c1)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2F3NO2/c16-11-5-4-9(13(17)7-11)8-23-14(22)21-12-3-1-2-10(6-12)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyQQEIXMBOIRMRRG-UHFFFAOYSA-N
XLogP5.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.15
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 100605483
(2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate
CID 27102174
benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 94848227
2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 39871511
1-[(2,4-dichlorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 19649602
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
(4-methanimidoylnaphthalen-1-yl)methyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 142003466
2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 63411541
2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7900662
1-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea
CID 4123379
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of (2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate (CID 4162168) is (2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for (2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate is O=C(Nc1cccc(C(F)(F)F)c1)OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate?
The InChIKey is QQEIXMBOIRMRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F3NO2/c16-11-5-4-9(13(17)7-11)8-23-14(22)21-12-3-1-2-10(6-12)15(18,19)20/h1-7H,8H2,(H,21,22).
What are the key properties of (2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate?
(2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate has a molecular weight of 364.15 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 4162168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).