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

C19H20F3N3O3 — CID 171782912

IUPACtert-butyl N-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H20F3N3O3/c1-18(2,3)28-17(27)25-15-6-4-5-14(11-15)24-16(26)23-13-9-7-12(8-10-13)19(20,21)22/h4-11H,1-3H3,(H,25,27)(H2,23,24,26)
InChIKeyUUEGCSHBNWXKTP-UHFFFAOYSA-N
MW395.38 g/mol
LogP5.70
Rot. Bonds3

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

tert-butyl N-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamate (PubChem CID 171782912) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is tert-butyl N-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamate
PubChem CID171782912
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Nametert-butyl N-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H20F3N3O3/c1-18(2,3)28-17(27)25-15-6-4-5-14(11-15)24-16(26)23-13-9-7-12(8-10-13)19(20,21)22/h4-11H,1-3H3,(H,25,27)(H2,23,24,26)
InChIKeyUUEGCSHBNWXKTP-UHFFFAOYSA-N
XLogP5.70
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate
CID 138469738
1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 87362484
tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
CID 107239782
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
tert-butyl N-(3-sulfanylphenyl)carbamate
CID 11436060
tert-butyl N-[4-[(3-iodophenyl)carbamoyl]phenyl]carbamate
CID 26245474
2-methyl-2-[4-[2-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]ethynyl]phenoxy]propanoic acid
CID 69416448
tert-butyl N-[3-[[5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]thiophene-2-carbonyl]amino]phenyl]carbamate
CID 166780032
tert-butyl N-[3-[5-[[[4-(trifluoromethyl)phenyl]carbamothioylamino]carbamoyl]-1,2,4-oxadiazol-3-yl]phenyl]carbamate
CID 24949372
tert-butyl N-[4-(methoxycarbamoylamino)phenyl]carbamate
CID 86597246

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamate (CID 171782912) is tert-butyl N-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of tert-butyl N-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamate?
The InChIKey is UUEGCSHBNWXKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-18(2,3)28-17(27)25-15-6-4-5-14(11-15)24-16(26)23-13-9-7-12(8-10-13)19(20,21)22/h4-11H,1-3H3,(H,25,27)(H2,23,24,26).
What are the key properties of tert-butyl N-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamate?
tert-butyl N-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamate has a molecular weight of 395.38 g/mol, XLogP of 5.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamate is sourced from PubChem (CID 171782912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).