(2-methyl-5-propan-2-ylphenyl) N-[4-(trifluoromethyl)phenyl]carbamate

C18H18F3NO2 — CID 134150498

IUPAC(2-methyl-5-propan-2-ylphenyl) N-[4-(trifluoromethyl)phenyl]carbamate
SMILESCc1ccc(C(C)C)cc1OC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO2/c1-11(2)13-5-4-12(3)16(10-13)24-17(23)22-15-8-6-14(7-9-15)18(19,20)21/h4-11H,1-3H3,(H,22,23)
InChIKeyMITNTXQVBYKQIQ-UHFFFAOYSA-N
MW337.34 g/mol
LogP5.75
Rot. Bonds3

About (2-methyl-5-propan-2-ylphenyl) N-[4-(trifluoromethyl)phenyl]carbamate

(2-methyl-5-propan-2-ylphenyl) N-[4-(trifluoromethyl)phenyl]carbamate (PubChem CID 134150498) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is (2-methyl-5-propan-2-ylphenyl) N-[4-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Name(2-methyl-5-propan-2-ylphenyl) N-[4-(trifluoromethyl)phenyl]carbamate
PubChem CID134150498
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name(2-methyl-5-propan-2-ylphenyl) N-[4-(trifluoromethyl)phenyl]carbamate
SMILESCc1ccc(C(C)C)cc1OC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO2/c1-11(2)13-5-4-12(3)16(10-13)24-17(23)22-15-8-6-14(7-9-15)18(19,20)21/h4-11H,1-3H3,(H,22,23)
InChIKeyMITNTXQVBYKQIQ-UHFFFAOYSA-N
XLogP5.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.34
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604
(2-methyl-5-propan-2-ylphenyl) hydrogen carbonate
CID 165362768
2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071565
(2-methyl-5-propan-2-ylphenyl) 2-aminoacetate;hydrochloride
CID 140833472
(2R)-2-(2,4-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 40769007
2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 30168402
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene
CID 81005193
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 47115044
4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639338
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685798

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-propan-2-ylphenyl) N-[4-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of (2-methyl-5-propan-2-ylphenyl) N-[4-(trifluoromethyl)phenyl]carbamate (CID 134150498) is (2-methyl-5-propan-2-ylphenyl) N-[4-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for (2-methyl-5-propan-2-ylphenyl) N-[4-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for (2-methyl-5-propan-2-ylphenyl) N-[4-(trifluoromethyl)phenyl]carbamate is Cc1ccc(C(C)C)cc1OC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2-methyl-5-propan-2-ylphenyl) N-[4-(trifluoromethyl)phenyl]carbamate?
The InChIKey is MITNTXQVBYKQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-11(2)13-5-4-12(3)16(10-13)24-17(23)22-15-8-6-14(7-9-15)18(19,20)21/h4-11H,1-3H3,(H,22,23).
What are the key properties of (2-methyl-5-propan-2-ylphenyl) N-[4-(trifluoromethyl)phenyl]carbamate?
(2-methyl-5-propan-2-ylphenyl) N-[4-(trifluoromethyl)phenyl]carbamate has a molecular weight of 337.34 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-propan-2-ylphenyl) N-[4-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 134150498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).