propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate

C11H11ClF3NO2 — CID 51062424

IUPACpropan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H11ClF3NO2/c1-6(2)18-10(17)16-7-3-4-9(12)8(5-7)11(13,14)15/h3-6H,1-2H3,(H,16,17)
InChIKeyKBFNPTZFJMBAMG-UHFFFAOYSA-N
MW281.66 g/mol
LogP4.32
Rot. Bonds2

About propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate

propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate (PubChem CID 51062424) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate
PubChem CID51062424
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC Namepropan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H11ClF3NO2/c1-6(2)18-10(17)16-7-3-4-9(12)8(5-7)11(13,14)15/h3-6H,1-2H3,(H,16,17)
InChIKeyKBFNPTZFJMBAMG-UHFFFAOYSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 82134049
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846
[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] propanoate
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2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 43245822
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
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[1-[4-chloro-3-(trifluoromethyl)anilino]-3,3-dimethyl-1-oxobutan-2-yl] carbamate
CID 175343547
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
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N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
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2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 60646948
[(1S)-2,2,2-trichloro-1-(propan-2-yloxycarbonylamino)ethyl] N-(3,4-dichlorophenyl)carbamate
CID 163144407
[2,2,2-trichloro-1-(propan-2-yloxycarbonylamino)ethyl] N-(3,4-dichlorophenyl)carbamate
CID 71675444

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate (CID 51062424) is propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate is CC(C)OC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate?
The InChIKey is KBFNPTZFJMBAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c1-6(2)18-10(17)16-7-3-4-9(12)8(5-7)11(13,14)15/h3-6H,1-2H3,(H,16,17).
What are the key properties of propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate?
propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate has a molecular weight of 281.66 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 51062424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).