tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate

C14H19FN2O3 — CID 56783735

IUPACtert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate
SMILESCCC(=O)Nc1cc(F)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H19FN2O3/c1-5-12(18)16-11-8-9(15)6-7-10(11)17-13(19)20-14(2,3)4/h6-8H,5H2,1-4H3,(H,16,18)(H,17,19)
InChIKeySAMGDMSJANYIGY-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.52
Rot. Bonds3

About tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate

tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate (PubChem CID 56783735) has the molecular formula C14H19FN2O3 and a molecular weight of 282.32 g/mol. Its IUPAC name is tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate
PubChem CID56783735
Molecular FormulaC14H19FN2O3
Molecular Weight282.32 g/mol
Exact Mass282.14
IUPAC Nametert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate
SMILESCCC(=O)Nc1cc(F)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H19FN2O3/c1-5-12(18)16-11-8-9(15)6-7-10(11)17-13(19)20-14(2,3)4/h6-8H,5H2,1-4H3,(H,16,18)(H,17,19)
InChIKeySAMGDMSJANYIGY-UHFFFAOYSA-N
XLogP3.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2,5-difluorophenyl)carbamate
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tert-butyl N-[4-fluoro-2-(5-methylhexan-2-ylamino)phenyl]carbamate
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tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate
CID 47451260
tert-butyl N-[4-fluoro-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]carbamate
CID 56571419
methyl 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 65142670
tert-butyl N-[4-fluoro-2-[[3-oxo-3-(3-pyridin-4-ylphenyl)propanoyl]amino]phenyl]carbamate
CID 86589224
tert-butyl N-[4-fluoro-2-(1H-pyrrol-2-ylmethylamino)phenyl]carbamate
CID 107240774
tert-butyl N-[4-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]carbamate
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tert-butyl N-[4-fluoro-2-[(5-iodofuran-2-yl)methylamino]phenyl]carbamate
CID 107240771
tert-butyl N-[4-fluoro-2-[(1-methylpyrrol-3-yl)methylamino]phenyl]carbamate
CID 107240795
tert-butyl N-[2-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoylamino]-4-fluorophenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate (CID 56783735) is tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate is CCC(=O)Nc1cc(F)ccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate?
The InChIKey is SAMGDMSJANYIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-5-12(18)16-11-8-9(15)6-7-10(11)17-13(19)20-14(2,3)4/h6-8H,5H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate?
tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate has a molecular weight of 282.32 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate is sourced from PubChem (CID 56783735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).