tert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate

C20H17F7N2O3 — CID 137353813

IUPACtert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2ccc(C(F)(F)F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C20H17F7N2O3/c1-18(2,3)32-17(31)28-11-5-7-14(21)15(9-11)29-16(30)10-4-6-12(19(22,23)24)13(8-10)20(25,26)27/h4-9H,1-3H3,(H,28,31)(H,29,30)
InChIKeyUZDREELRAVQCQP-UHFFFAOYSA-N
MW466.35 g/mol
LogP6.46
Rot. Bonds3

About tert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate

tert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate (PubChem CID 137353813) has the molecular formula C20H17F7N2O3 and a molecular weight of 466.35 g/mol. Its IUPAC name is tert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate
PubChem CID137353813
Molecular FormulaC20H17F7N2O3
Molecular Weight466.35 g/mol
Exact Mass466.11
IUPAC Nametert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2ccc(C(F)(F)F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C20H17F7N2O3/c1-18(2,3)32-17(31)28-11-5-7-14(21)15(9-11)29-16(30)10-4-6-12(19(22,23)24)13(8-10)20(25,26)27/h4-9H,1-3H3,(H,28,31)(H,29,30)
InChIKeyUZDREELRAVQCQP-UHFFFAOYSA-N
XLogP6.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.35
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-fluoro-3-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]carbamate
CID 137353546
tert-butyl N-[4-fluoro-3-[(4-methylsulfanylbenzoyl)amino]phenyl]carbamate
CID 78865639
tert-butyl N-[4-fluoro-3-[[4-(methylsulfanylmethyl)benzoyl]amino]phenyl]carbamate
CID 86930596
tert-butyl N-[3-[(4-ethoxy-3-methylbenzoyl)amino]-4-fluorophenyl]carbamate
CID 86938109
tert-butyl N-[4-fluoro-3-[(3-methylsulfonylbenzoyl)amino]phenyl]carbamate
CID 137353839
tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate
CID 55768268
tert-butyl N-[4-fluoro-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 166186575
tert-butyl N-[2-fluoro-5-(prop-2-ynylamino)phenyl]carbamate
CID 107240618
tert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate
CID 56827231
tert-butyl N-[2-fluoro-5-[(1-methylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 51090415
tert-butyl N-[4-fluoro-3-(heptylamino)phenyl]carbamate
CID 107241007
tert-butyl N-[5-[(2-cyanoacetyl)amino]-2-fluorophenyl]carbamate
CID 168521828

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate (CID 137353813) is tert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2ccc(C(F)(F)F)c(C(F)(F)F)c2)c1.
What is the InChIKey of tert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate?
The InChIKey is UZDREELRAVQCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F7N2O3/c1-18(2,3)32-17(31)28-11-5-7-14(21)15(9-11)29-16(30)10-4-6-12(19(22,23)24)13(8-10)20(25,26)27/h4-9H,1-3H3,(H,28,31)(H,29,30).
What are the key properties of tert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate?
tert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate has a molecular weight of 466.35 g/mol, XLogP of 6.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate is sourced from PubChem (CID 137353813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).