propyl N-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methylamino]-2,6-dimethylphenyl]carbamate

C20H22F4N2O2 — CID 11545749

IUPACpropyl N-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methylamino]-2,6-dimethylphenyl]carbamate
SMILESCCCOC(=O)Nc1c(C)cc(NCc2ccc(C(F)(F)F)c(F)c2)cc1C
InChIInChI=1S/C20H22F4N2O2/c1-4-7-28-19(27)26-18-12(2)8-15(9-13(18)3)25-11-14-5-6-16(17(21)10-14)20(22,23)24/h5-6,8-10,25H,4,7,11H2,1-3H3,(H,26,27)
InChIKeyNEHSTGIZKPRPQM-UHFFFAOYSA-N
MW398.40 g/mol
LogP6.03
Rot. Bonds6

About propyl N-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methylamino]-2,6-dimethylphenyl]carbamate

propyl N-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methylamino]-2,6-dimethylphenyl]carbamate (PubChem CID 11545749) has the molecular formula C20H22F4N2O2 and a molecular weight of 398.40 g/mol. Its IUPAC name is propyl N-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methylamino]-2,6-dimethylphenyl]carbamate.

Molecular Properties

Compound Namepropyl N-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methylamino]-2,6-dimethylphenyl]carbamate
PubChem CID11545749
Molecular FormulaC20H22F4N2O2
Molecular Weight398.40 g/mol
Exact Mass398.16
IUPAC Namepropyl N-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methylamino]-2,6-dimethylphenyl]carbamate
SMILESCCCOC(=O)Nc1c(C)cc(NCc2ccc(C(F)(F)F)c(F)c2)cc1C
InChIInChI=1S/C20H22F4N2O2/c1-4-7-28-19(27)26-18-12(2)8-15(9-13(18)3)25-11-14-5-6-16(17(21)10-14)20(22,23)24/h5-6,8-10,25H,4,7,11H2,1-3H3,(H,26,27)
InChIKeyNEHSTGIZKPRPQM-UHFFFAOYSA-N
XLogP6.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.40
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propyl N-[2,6-dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]carbamate
CID 11567077
propyl N-(4-fluoro-3-methylphenyl)carbamate
CID 59576509
[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid
CID 68707179
ethyl N-[4-[(3-fluoroanilino)methyl]-2,6-dimethylphenyl]carbamate
CID 11716670
ethyl N-[4-[(4-fluoroanilino)methyl]-2-methylphenyl]carbamate
CID 10266902
ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 142344458
N-[(3-fluoro-4-methylphenyl)methyl]-4-propoxyaniline
CID 63645716
ethyl N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 10269475
propyl N-(2-chloro-4,6-dimethylphenyl)carbamate
CID 19174388
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 107288905
[4-[(3,5-difluoroanilino)methyl]-2,6-dimethylphenyl]carbamic acid
CID 141140493
ethyl 3-fluoro-4-(trifluoromethyl)benzoate
CID 46311389

Frequently Asked Questions

What is the IUPAC name of propyl N-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methylamino]-2,6-dimethylphenyl]carbamate?
The IUPAC name of propyl N-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methylamino]-2,6-dimethylphenyl]carbamate (CID 11545749) is propyl N-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methylamino]-2,6-dimethylphenyl]carbamate.
What is the SMILES notation for propyl N-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methylamino]-2,6-dimethylphenyl]carbamate?
The canonical SMILES for propyl N-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methylamino]-2,6-dimethylphenyl]carbamate is CCCOC(=O)Nc1c(C)cc(NCc2ccc(C(F)(F)F)c(F)c2)cc1C.
What is the InChIKey of propyl N-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methylamino]-2,6-dimethylphenyl]carbamate?
The InChIKey is NEHSTGIZKPRPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F4N2O2/c1-4-7-28-19(27)26-18-12(2)8-15(9-13(18)3)25-11-14-5-6-16(17(21)10-14)20(22,23)24/h5-6,8-10,25H,4,7,11H2,1-3H3,(H,26,27).
What are the key properties of propyl N-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methylamino]-2,6-dimethylphenyl]carbamate?
propyl N-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methylamino]-2,6-dimethylphenyl]carbamate has a molecular weight of 398.40 g/mol, XLogP of 6.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methylamino]-2,6-dimethylphenyl]carbamate is sourced from PubChem (CID 11545749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).