(5-acetyl-4-fluoro-2-methylphenyl) N-tert-butylcarbamate

C14H18FNO3 — CID 174637088

IUPAC(5-acetyl-4-fluoro-2-methylphenyl) N-tert-butylcarbamate
SMILESCC(=O)c1cc(OC(=O)NC(C)(C)C)c(C)cc1F
InChIInChI=1S/C14H18FNO3/c1-8-6-11(15)10(9(2)17)7-12(8)19-13(18)16-14(3,4)5/h6-7H,1-5H3,(H,16,18)
InChIKeyPYTNJPXCTCGJKR-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.22
Rot. Bonds2

About (5-acetyl-4-fluoro-2-methylphenyl) N-tert-butylcarbamate

(5-acetyl-4-fluoro-2-methylphenyl) N-tert-butylcarbamate (PubChem CID 174637088) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is (5-acetyl-4-fluoro-2-methylphenyl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(5-acetyl-4-fluoro-2-methylphenyl) N-tert-butylcarbamate
PubChem CID174637088
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name(5-acetyl-4-fluoro-2-methylphenyl) N-tert-butylcarbamate
SMILESCC(=O)c1cc(OC(=O)NC(C)(C)C)c(C)cc1F
InChIInChI=1S/C14H18FNO3/c1-8-6-11(15)10(9(2)17)7-12(8)19-13(18)16-14(3,4)5/h6-7H,1-5H3,(H,16,18)
InChIKeyPYTNJPXCTCGJKR-UHFFFAOYSA-N
XLogP3.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4,5-trifluorophenyl) N-tert-butylcarbamate
CID 127550277
[4-(4-aminophenoxy)-2,5-dimethylphenyl] N-tert-butylcarbamate
CID 141158237
[2-amino-4-methyl-5-(trifluoromethyl)phenyl] N-tert-butylcarbamate
CID 174510277
(5-bromo-4-chloro-2-fluorophenyl) N-tert-butylcarbamate
CID 175573309
1-(2,4-difluoro-5-methoxyphenyl)ethanone
CID 117280345
1-[2,4-difluoro-5-(trifluoromethoxy)phenyl]ethanone
CID 171006054
[4-[(2-fluorobenzoyl)amino]phenyl] N-tert-butylcarbamate
CID 174384480
(4-fluoro-2-nitrophenyl) N-tert-butylcarbamate
CID 174510281
5-acetyl-4-fluoro-2-methylbenzaldehyde
CID 171010251
(3-bromo-2,6-difluorophenyl) N-tert-butylcarbamate
CID 174652511
(3-aminonaphthalen-2-yl) N-tert-butylcarbamate
CID 174570423
N-tert-butyl-4-methoxy-2,5-dimethylbenzamide
CID 110761615

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-4-fluoro-2-methylphenyl) N-tert-butylcarbamate?
The IUPAC name of (5-acetyl-4-fluoro-2-methylphenyl) N-tert-butylcarbamate (CID 174637088) is (5-acetyl-4-fluoro-2-methylphenyl) N-tert-butylcarbamate.
What is the SMILES notation for (5-acetyl-4-fluoro-2-methylphenyl) N-tert-butylcarbamate?
The canonical SMILES for (5-acetyl-4-fluoro-2-methylphenyl) N-tert-butylcarbamate is CC(=O)c1cc(OC(=O)NC(C)(C)C)c(C)cc1F.
What is the InChIKey of (5-acetyl-4-fluoro-2-methylphenyl) N-tert-butylcarbamate?
The InChIKey is PYTNJPXCTCGJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-8-6-11(15)10(9(2)17)7-12(8)19-13(18)16-14(3,4)5/h6-7H,1-5H3,(H,16,18).
What are the key properties of (5-acetyl-4-fluoro-2-methylphenyl) N-tert-butylcarbamate?
(5-acetyl-4-fluoro-2-methylphenyl) N-tert-butylcarbamate has a molecular weight of 267.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-4-fluoro-2-methylphenyl) N-tert-butylcarbamate is sourced from PubChem (CID 174637088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).