tert-butyl N-[2-[4-chloro-3-(trifluoromethyl)anilino]propyl]carbamate

C15H20ClF3N2O2 — CID 103387744

IUPACtert-butyl N-[2-[4-chloro-3-(trifluoromethyl)anilino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H20ClF3N2O2/c1-9(8-20-13(22)23-14(2,3)4)21-10-5-6-12(16)11(7-10)15(17,18)19/h5-7,9,21H,8H2,1-4H3,(H,20,22)
InChIKeyYUPSQJNGUUCKNE-UHFFFAOYSA-N
MW352.78 g/mol
LogP4.68
Rot. Bonds4

About tert-butyl N-[2-[4-chloro-3-(trifluoromethyl)anilino]propyl]carbamate

tert-butyl N-[2-[4-chloro-3-(trifluoromethyl)anilino]propyl]carbamate (PubChem CID 103387744) has the molecular formula C15H20ClF3N2O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is tert-butyl N-[2-[4-chloro-3-(trifluoromethyl)anilino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-chloro-3-(trifluoromethyl)anilino]propyl]carbamate
PubChem CID103387744
Molecular FormulaC15H20ClF3N2O2
Molecular Weight352.78 g/mol
Exact Mass352.12
IUPAC Nametert-butyl N-[2-[4-chloro-3-(trifluoromethyl)anilino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H20ClF3N2O2/c1-9(8-20-13(22)23-14(2,3)4)21-10-5-6-12(16)11(7-10)15(17,18)19/h5-7,9,21H,8H2,1-4H3,(H,20,22)
InChIKeyYUPSQJNGUUCKNE-UHFFFAOYSA-N
XLogP4.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[3-(trifluoromethyl)anilino]propyl]carbamate
CID 103387055
tert-butyl N-[2-(3-bromo-4-methylanilino)propyl]carbamate
CID 103389943
tert-butyl N-[2-(2,4,6-trichloroanilino)propyl]carbamate
CID 103387727
tert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate
CID 103387276
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)propanamide
CID 109012712
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide
CID 109031971
tert-butyl N-[2-(4-acetamido-3-methylanilino)propyl]carbamate
CID 103387940
tert-butyl N-[2-[4-(2-cyanopropan-2-yl)anilino]propyl]carbamate
CID 103387974
tert-butyl N-[4-[4-chloro-3-(trifluoromethyl)benzoyl]phenyl]carbamate
CID 153379653
N-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide
CID 43243123
tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate
CID 103388467
propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate
CID 51062424

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-chloro-3-(trifluoromethyl)anilino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-chloro-3-(trifluoromethyl)anilino]propyl]carbamate (CID 103387744) is tert-butyl N-[2-[4-chloro-3-(trifluoromethyl)anilino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-chloro-3-(trifluoromethyl)anilino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-chloro-3-(trifluoromethyl)anilino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of tert-butyl N-[2-[4-chloro-3-(trifluoromethyl)anilino]propyl]carbamate?
The InChIKey is YUPSQJNGUUCKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2O2/c1-9(8-20-13(22)23-14(2,3)4)21-10-5-6-12(16)11(7-10)15(17,18)19/h5-7,9,21H,8H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[4-chloro-3-(trifluoromethyl)anilino]propyl]carbamate?
tert-butyl N-[2-[4-chloro-3-(trifluoromethyl)anilino]propyl]carbamate has a molecular weight of 352.78 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-chloro-3-(trifluoromethyl)anilino]propyl]carbamate is sourced from PubChem (CID 103387744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).