tert-butyl N-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]cyclopropyl]carbamate

C16H18F4N2O3 — CID 142403499

IUPACtert-butyl N-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H18F4N2O3/c1-14(2,3)25-13(24)22-15(4-5-15)12(23)21-11-7-9(16(18,19)20)6-10(17)8-11/h6-8H,4-5H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyBFODGLRZVYBSAF-UHFFFAOYSA-N
MW362.32 g/mol
LogP3.84
Rot. Bonds3

About tert-butyl N-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]cyclopropyl]carbamate

tert-butyl N-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]cyclopropyl]carbamate (PubChem CID 142403499) has the molecular formula C16H18F4N2O3 and a molecular weight of 362.32 g/mol. Its IUPAC name is tert-butyl N-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]cyclopropyl]carbamate
PubChem CID142403499
Molecular FormulaC16H18F4N2O3
Molecular Weight362.32 g/mol
Exact Mass362.13
IUPAC Nametert-butyl N-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H18F4N2O3/c1-14(2,3)25-13(24)22-15(4-5-15)12(23)21-11-7-9(16(18,19)20)6-10(17)8-11/h6-8H,4-5H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyBFODGLRZVYBSAF-UHFFFAOYSA-N
XLogP3.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]carbamate
CID 117236612
tert-butyl N-[1-[(6-fluoro-1-methylbenzimidazol-2-yl)carbamoyl]cyclopropyl]carbamate
CID 155949012
tert-butyl N-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamate
CID 86722600
tert-butyl N-[4-[4-[2-[3-(fluoromethyl)-5-(trifluoromethyl)anilino]-2-oxoethyl]piperidine-1-carbonyl]oxan-4-yl]carbamate
CID 67567747
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 21111788
1-acetamido-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 120604779
tert-butyl N-[4-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate
CID 66921345
1-[[4-(dimethylamino)oxan-4-yl]methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
CID 72863043
tert-butyl N-[3-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate
CID 86716672
tert-butyl N-[1-[(4-chloroanilino)carbamoyl]cyclopropyl]carbamate
CID 170945244
tert-butyl N-[1-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]carbamoyl]cyclopentyl]carbamate
CID 86883194
N-[3,5-bis(trifluoromethyl)phenyl]-4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-1-methylsulfonylpiperidine-4-carboxamide
CID 25071726

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]cyclopropyl]carbamate (CID 142403499) is tert-butyl N-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of tert-butyl N-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]cyclopropyl]carbamate?
The InChIKey is BFODGLRZVYBSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4N2O3/c1-14(2,3)25-13(24)22-15(4-5-15)12(23)21-11-7-9(16(18,19)20)6-10(17)8-11/h6-8H,4-5H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of tert-butyl N-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]cyclopropyl]carbamate?
tert-butyl N-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]cyclopropyl]carbamate has a molecular weight of 362.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]cyclopropyl]carbamate is sourced from PubChem (CID 142403499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).