methyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate

C10H9ClF3NO2 — CID 110604261

IUPACmethyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H9ClF3NO2/c1-15(9(16)17-2)8-5-6(10(12,13)14)3-4-7(8)11/h3-5H,1-2H3
InChIKeyLOPSBPPRZDNRMW-UHFFFAOYSA-N
MW267.63 g/mol
LogP3.56
Rot. Bonds1

About methyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate

methyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate (PubChem CID 110604261) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is methyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate
PubChem CID110604261
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC Namemethyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H9ClF3NO2/c1-15(9(16)17-2)8-5-6(10(12,13)14)3-4-7(8)11/h3-5H,1-2H3
InChIKeyLOPSBPPRZDNRMW-UHFFFAOYSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-3-propan-2-ylurea
CID 110667992
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcyclopropanecarboxamide
CID 110604257
1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylhydrazine
CID 82080672
methyl 2-[2-chloro-N-ethylsulfonyl-5-(trifluoromethyl)anilino]acetate
CID 50893328
methyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117424988
2-[2-chloro-5-(trifluoromethyl)phenyl]-N-methoxy-N-methylacetamide
CID 118168683
2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 28567503
methyl (E)-3-[2-chloro-5-(trifluoromethyl)anilino]prop-2-enoate
CID 103231322
methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 54787072
methyl (3S)-3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanoate
CID 171242862
4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide
CID 110604269
N-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]-2-ethylbutanamide
CID 113062130

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate?
The IUPAC name of methyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate (CID 110604261) is methyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate is COC(=O)N(C)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of methyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate?
The InChIKey is LOPSBPPRZDNRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO2/c1-15(9(16)17-2)8-5-6(10(12,13)14)3-4-7(8)11/h3-5H,1-2H3.
What are the key properties of methyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate?
methyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate has a molecular weight of 267.63 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate is sourced from PubChem (CID 110604261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).