benzyl N-[1-(2-fluoro-4-methylphenyl)-2-methyl-1-oxopropan-2-yl]carbamate

C19H20FNO3 — CID 22031542

IUPACbenzyl N-[1-(2-fluoro-4-methylphenyl)-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCc1ccc(C(=O)C(C)(C)NC(=O)OCc2ccccc2)c(F)c1
InChIInChI=1S/C19H20FNO3/c1-13-9-10-15(16(20)11-13)17(22)19(2,3)21-18(23)24-12-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyHFRLAXJMWZVATO-UHFFFAOYSA-N
MW329.37 g/mol
LogP4.02
Rot. Bonds5

About benzyl N-[1-(2-fluoro-4-methylphenyl)-2-methyl-1-oxopropan-2-yl]carbamate

benzyl N-[1-(2-fluoro-4-methylphenyl)-2-methyl-1-oxopropan-2-yl]carbamate (PubChem CID 22031542) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is benzyl N-[1-(2-fluoro-4-methylphenyl)-2-methyl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(2-fluoro-4-methylphenyl)-2-methyl-1-oxopropan-2-yl]carbamate
PubChem CID22031542
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Namebenzyl N-[1-(2-fluoro-4-methylphenyl)-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCc1ccc(C(=O)C(C)(C)NC(=O)OCc2ccccc2)c(F)c1
InChIInChI=1S/C19H20FNO3/c1-13-9-10-15(16(20)11-13)17(22)19(2,3)21-18(23)24-12-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyHFRLAXJMWZVATO-UHFFFAOYSA-N
XLogP4.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(2-fluoro-4-methylphenyl)-2-methyl-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-(2-fluoro-4-methylphenyl)-2-methyl-1-oxopropan-2-yl]carbamate (CID 22031542) is benzyl N-[1-(2-fluoro-4-methylphenyl)-2-methyl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(2-fluoro-4-methylphenyl)-2-methyl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-(2-fluoro-4-methylphenyl)-2-methyl-1-oxopropan-2-yl]carbamate is Cc1ccc(C(=O)C(C)(C)NC(=O)OCc2ccccc2)c(F)c1.
What is the InChIKey of benzyl N-[1-(2-fluoro-4-methylphenyl)-2-methyl-1-oxopropan-2-yl]carbamate?
The InChIKey is HFRLAXJMWZVATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-13-9-10-15(16(20)11-13)17(22)19(2,3)21-18(23)24-12-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of benzyl N-[1-(2-fluoro-4-methylphenyl)-2-methyl-1-oxopropan-2-yl]carbamate?
benzyl N-[1-(2-fluoro-4-methylphenyl)-2-methyl-1-oxopropan-2-yl]carbamate has a molecular weight of 329.37 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(2-fluoro-4-methylphenyl)-2-methyl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 22031542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).