tert-butyl N-[4-[(2-aminobenzoyl)amino]-3-(trifluoromethyl)phenyl]carbamate

C19H20F3N3O3 — CID 91398764

IUPACtert-butyl N-[4-[(2-aminobenzoyl)amino]-3-(trifluoromethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccccc2N)c(C(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O3/c1-18(2,3)28-17(27)24-11-8-9-15(13(10-11)19(20,21)22)25-16(26)12-6-4-5-7-14(12)23/h4-10H,23H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyVIVANSKIJJVYEH-UHFFFAOYSA-N
MW395.38 g/mol
LogP4.89
Rot. Bonds3

About tert-butyl N-[4-[(2-aminobenzoyl)amino]-3-(trifluoromethyl)phenyl]carbamate

tert-butyl N-[4-[(2-aminobenzoyl)amino]-3-(trifluoromethyl)phenyl]carbamate (PubChem CID 91398764) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is tert-butyl N-[4-[(2-aminobenzoyl)amino]-3-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2-aminobenzoyl)amino]-3-(trifluoromethyl)phenyl]carbamate
PubChem CID91398764
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Nametert-butyl N-[4-[(2-aminobenzoyl)amino]-3-(trifluoromethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccccc2N)c(C(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O3/c1-18(2,3)28-17(27)24-11-8-9-15(13(10-11)19(20,21)22)25-16(26)12-6-4-5-7-14(12)23/h4-10H,23H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyVIVANSKIJJVYEH-UHFFFAOYSA-N
XLogP4.89
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate
CID 56827231
tert-butyl N-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]carbamate
CID 167964651
tert-butyl N-[4-carbonochloridoyl-3-(trifluoromethyl)phenyl]carbamate
CID 134284184
methyl N-[4-[(2-aminobenzoyl)amino]phenyl]carbamate
CID 61213394
4-amino-N-[4-[[4-amino-2-(trifluoromethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzamide
CID 135301185
tert-butyl N-[3-(2-aminoanilino)phenyl]carbamate
CID 129052010
5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
CID 55765621
tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-(4-aminophenyl)carbamate
CID 159167301
tert-butyl N-[4-amino-3-(2,2,2-trifluoroethylamino)phenyl]carbamate
CID 171512326
tert-butyl N-[3-[(2-aminophenyl)methylamino]phenyl]carbamate
CID 107239870
tert-butyl N-[2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoethyl]carbamate
CID 60596349
tert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate
CID 137353813

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2-aminobenzoyl)amino]-3-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2-aminobenzoyl)amino]-3-(trifluoromethyl)phenyl]carbamate (CID 91398764) is tert-butyl N-[4-[(2-aminobenzoyl)amino]-3-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2-aminobenzoyl)amino]-3-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2-aminobenzoyl)amino]-3-(trifluoromethyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccccc2N)c(C(F)(F)F)c1.
What is the InChIKey of tert-butyl N-[4-[(2-aminobenzoyl)amino]-3-(trifluoromethyl)phenyl]carbamate?
The InChIKey is VIVANSKIJJVYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-18(2,3)28-17(27)24-11-8-9-15(13(10-11)19(20,21)22)25-16(26)12-6-4-5-7-14(12)23/h4-10H,23H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of tert-butyl N-[4-[(2-aminobenzoyl)amino]-3-(trifluoromethyl)phenyl]carbamate?
tert-butyl N-[4-[(2-aminobenzoyl)amino]-3-(trifluoromethyl)phenyl]carbamate has a molecular weight of 395.38 g/mol, XLogP of 4.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(2-aminobenzoyl)amino]-3-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 91398764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).