2-methylbutan-2-yl N-[(2-carbamoyl-4-fluorophenyl)methyl]carbamate

C14H19FN2O3 — CID 71063832

IUPAC2-methylbutan-2-yl N-[(2-carbamoyl-4-fluorophenyl)methyl]carbamate
SMILESCCC(C)(C)OC(=O)NCc1ccc(F)cc1C(N)=O
InChIInChI=1S/C14H19FN2O3/c1-4-14(2,3)20-13(19)17-8-9-5-6-10(15)7-11(9)12(16)18/h5-7H,4,8H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyZCTHJXAGJUVZIV-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.34
Rot. Bonds5

About 2-methylbutan-2-yl N-[(2-carbamoyl-4-fluorophenyl)methyl]carbamate

2-methylbutan-2-yl N-[(2-carbamoyl-4-fluorophenyl)methyl]carbamate (PubChem CID 71063832) has the molecular formula C14H19FN2O3 and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-methylbutan-2-yl N-[(2-carbamoyl-4-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Name2-methylbutan-2-yl N-[(2-carbamoyl-4-fluorophenyl)methyl]carbamate
PubChem CID71063832
Molecular FormulaC14H19FN2O3
Molecular Weight282.32 g/mol
Exact Mass282.14
IUPAC Name2-methylbutan-2-yl N-[(2-carbamoyl-4-fluorophenyl)methyl]carbamate
SMILESCCC(C)(C)OC(=O)NCc1ccc(F)cc1C(N)=O
InChIInChI=1S/C14H19FN2O3/c1-4-14(2,3)20-13(19)17-8-9-5-6-10(15)7-11(9)12(16)18/h5-7H,4,8H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyZCTHJXAGJUVZIV-UHFFFAOYSA-N
XLogP2.34
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(4-fluoro-2-methylphenyl)methyl]carbamate
CID 59483479
3-amino-N-[(2,4-difluorophenyl)methyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 55053279
2-(aminomethyl)-5-fluorobenzamide;hydrochloride
CID 173145989
CID 176950588
CID 176950588
2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide
CID 115303646
tert-butyl N-[(2-fluoro-4-methylphenyl)methyl]carbamate
CID 158865202
4-(2-carbamoyl-4-fluoroanilino)-2,2-dimethylbutanoic acid
CID 114285529
tert-butyl N-[3-[(2,4-difluorophenyl)methylamino]propyl]carbamate
CID 78942148
tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate
CID 136664415
2-[[4-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]methylamino]-N-propylacetamide
CID 77027983
tert-butyl N-[[2-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]carbamate
CID 177190590
tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
CID 107248645

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl N-[(2-carbamoyl-4-fluorophenyl)methyl]carbamate?
The IUPAC name of 2-methylbutan-2-yl N-[(2-carbamoyl-4-fluorophenyl)methyl]carbamate (CID 71063832) is 2-methylbutan-2-yl N-[(2-carbamoyl-4-fluorophenyl)methyl]carbamate.
What is the SMILES notation for 2-methylbutan-2-yl N-[(2-carbamoyl-4-fluorophenyl)methyl]carbamate?
The canonical SMILES for 2-methylbutan-2-yl N-[(2-carbamoyl-4-fluorophenyl)methyl]carbamate is CCC(C)(C)OC(=O)NCc1ccc(F)cc1C(N)=O.
What is the InChIKey of 2-methylbutan-2-yl N-[(2-carbamoyl-4-fluorophenyl)methyl]carbamate?
The InChIKey is ZCTHJXAGJUVZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-4-14(2,3)20-13(19)17-8-9-5-6-10(15)7-11(9)12(16)18/h5-7H,4,8H2,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of 2-methylbutan-2-yl N-[(2-carbamoyl-4-fluorophenyl)methyl]carbamate?
2-methylbutan-2-yl N-[(2-carbamoyl-4-fluorophenyl)methyl]carbamate has a molecular weight of 282.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl N-[(2-carbamoyl-4-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 71063832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).