tert-butyl N-[cyclopropyl-(2-fluoro-4-methylphenyl)methyl]carbamate

C16H22FNO2 — CID 123190333

IUPACtert-butyl N-[cyclopropyl-(2-fluoro-4-methylphenyl)methyl]carbamate
SMILESCc1ccc(C(NC(=O)OC(C)(C)C)C2CC2)c(F)c1
InChIInChI=1S/C16H22FNO2/c1-10-5-8-12(13(17)9-10)14(11-6-7-11)18-15(19)20-16(2,3)4/h5,8-9,11,14H,6-7H2,1-4H3,(H,18,19)
InChIKeyFZTLHKJWQZZHHH-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.11
Rot. Bonds3

About tert-butyl N-[cyclopropyl-(2-fluoro-4-methylphenyl)methyl]carbamate

tert-butyl N-[cyclopropyl-(2-fluoro-4-methylphenyl)methyl]carbamate (PubChem CID 123190333) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is tert-butyl N-[cyclopropyl-(2-fluoro-4-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[cyclopropyl-(2-fluoro-4-methylphenyl)methyl]carbamate
PubChem CID123190333
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Nametert-butyl N-[cyclopropyl-(2-fluoro-4-methylphenyl)methyl]carbamate
SMILESCc1ccc(C(NC(=O)OC(C)(C)C)C2CC2)c(F)c1
InChIInChI=1S/C16H22FNO2/c1-10-5-8-12(13(17)9-10)14(11-6-7-11)18-15(19)20-16(2,3)4/h5,8-9,11,14H,6-7H2,1-4H3,(H,18,19)
InChIKeyFZTLHKJWQZZHHH-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-[cyclopropyl-(2-fluoro-4-methylphenyl)methyl]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-[(1R)-1-(2-fluoro-5-methylphenyl)-2-hydroxyethyl]carbamate
CID 69109171
tert-butyl N-[3-(2-fluoro-4-methylanilino)cyclohexyl]carbamate
CID 103720068
tert-butyl N-[(2S)-1-(2-fluoro-4-methylanilino)-4-hydroxy-1-oxobutan-2-yl]carbamate
CID 142974608
tert-butyl N-[1-amino-3-(2-fluoro-4-methylphenyl)-1-oxopropan-2-yl]carbamate
CID 123308039
tert-butyl N-[[cyclopropyl-(4-fluorophenyl)methyl]amino]carbamate
CID 107237014
tert-butyl N-[(2-fluoro-4-methylphenyl)methyl]carbamate
CID 158865202
tert-butyl N-[(3R,4S)-4-(2-fluoro-5-methylphenyl)pyrrolidin-3-yl]carbamate
CID 66691976
N-(dicyclopropylmethyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 29457118
tert-butyl N-[2-amino-1-(2,4-difluorophenyl)-2-oxoethyl]carbamate
CID 58180376
(2S)-3-(2-fluoro-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 71445700
tert-butyl N-[(S)-cyclopropyl-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]carbamate
CID 171608026
tert-butyl N-[cyclopropyl-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
CID 178036066

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[cyclopropyl-(2-fluoro-4-methylphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[cyclopropyl-(2-fluoro-4-methylphenyl)methyl]carbamate (CID 123190333) is tert-butyl N-[cyclopropyl-(2-fluoro-4-methylphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[cyclopropyl-(2-fluoro-4-methylphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[cyclopropyl-(2-fluoro-4-methylphenyl)methyl]carbamate is Cc1ccc(C(NC(=O)OC(C)(C)C)C2CC2)c(F)c1.
What is the InChIKey of tert-butyl N-[cyclopropyl-(2-fluoro-4-methylphenyl)methyl]carbamate?
The InChIKey is FZTLHKJWQZZHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-10-5-8-12(13(17)9-10)14(11-6-7-11)18-15(19)20-16(2,3)4/h5,8-9,11,14H,6-7H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[cyclopropyl-(2-fluoro-4-methylphenyl)methyl]carbamate?
tert-butyl N-[cyclopropyl-(2-fluoro-4-methylphenyl)methyl]carbamate has a molecular weight of 279.36 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[cyclopropyl-(2-fluoro-4-methylphenyl)methyl]carbamate is sourced from PubChem (CID 123190333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).