tert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate

C14H17F3N2O3 — CID 56827231

IUPACtert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate
SMILESCC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O3/c1-8(20)18-11-6-5-9(7-10(11)14(15,16)17)19-12(21)22-13(2,3)4/h5-7H,1-4H3,(H,18,20)(H,19,21)
InChIKeyODWFEESIQFBVIU-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.01
Rot. Bonds2

About tert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate

tert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate (PubChem CID 56827231) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is tert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate
PubChem CID56827231
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Nametert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate
SMILESCC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O3/c1-8(20)18-11-6-5-9(7-10(11)14(15,16)17)19-12(21)22-13(2,3)4/h5-7H,1-4H3,(H,18,20)(H,19,21)
InChIKeyODWFEESIQFBVIU-UHFFFAOYSA-N
XLogP4.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]carbamate
CID 167964651
tert-butyl N-(4-acetamido-3-methylphenyl)carbamate
CID 65142696
tert-butyl N-[4-[(2-aminobenzoyl)amino]-3-(trifluoromethyl)phenyl]carbamate
CID 91398764
tert-butyl N-[4-carbonochloridoyl-3-(trifluoromethyl)phenyl]carbamate
CID 134284184
(2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide
CID 78973301
tert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate
CID 137353813
tert-butyl N-[2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoethyl]carbamate
CID 60596349
tert-butyl N-[4-fluoro-3-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]carbamate
CID 137353546
tert-butyl N-[4-(1-ethoxyethenyl)-2-(trifluoromethyl)phenyl]carbamate
CID 164842670
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 43041008
tert-butyl N-[4-[4-chloro-3-(trifluoromethyl)benzoyl]phenyl]carbamate
CID 153379653
tert-butyl N-[4-(1-propoxyethenyl)-2-(trifluoromethyl)phenyl]carbamate
CID 167066827

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate (CID 56827231) is tert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate is CC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F.
What is the InChIKey of tert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate?
The InChIKey is ODWFEESIQFBVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-8(20)18-11-6-5-9(7-10(11)14(15,16)17)19-12(21)22-13(2,3)4/h5-7H,1-4H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate?
tert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate has a molecular weight of 318.30 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 56827231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).