[3-fluoro-4-(propanoylamino)phenyl]methyl N-methylcarbamate

C12H15FN2O3 — CID 170257650

IUPAC[3-fluoro-4-(propanoylamino)phenyl]methyl N-methylcarbamate
SMILESCCC(=O)Nc1ccc(COC(=O)NC)cc1F
InChIInChI=1S/C12H15FN2O3/c1-3-11(16)15-10-5-4-8(6-9(10)13)7-18-12(17)14-2/h4-6H,3,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeySADBWINAZOBLGN-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.03
Rot. Bonds4

About [3-fluoro-4-(propanoylamino)phenyl]methyl N-methylcarbamate

[3-fluoro-4-(propanoylamino)phenyl]methyl N-methylcarbamate (PubChem CID 170257650) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is [3-fluoro-4-(propanoylamino)phenyl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[3-fluoro-4-(propanoylamino)phenyl]methyl N-methylcarbamate
PubChem CID170257650
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name[3-fluoro-4-(propanoylamino)phenyl]methyl N-methylcarbamate
SMILESCCC(=O)Nc1ccc(COC(=O)NC)cc1F
InChIInChI=1S/C12H15FN2O3/c1-3-11(16)15-10-5-4-8(6-9(10)13)7-18-12(17)14-2/h4-6H,3,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeySADBWINAZOBLGN-UHFFFAOYSA-N
XLogP2.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2-fluoro-4-(methylcarbamoyl)phenyl]carbamate
CID 71261390
N-(2,4,5-trifluorophenyl)propanamide
CID 63372836
N-[4-(aminomethyl)-2-fluorophenyl]-2-methoxyacetamide;hydrochloride
CID 11651718
5-[(4-chloro-3-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid
CID 24994059
[4-(chloroamino)phenyl]methyl N-methylcarbamate
CID 139307114
methyl 5-fluoro-2-(propanoylamino)benzoate
CID 60787953
(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate
CID 22745182
5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]-2-(propanoylamino)benzoic acid
CID 24994056
N-[2-(aminomethyl)-4-chlorophenyl]propanamide
CID 66877518
benzyl N-[(2S,3S)-1-(4-chloro-2-fluoroanilino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 7611337
N-(4,5-difluoro-2-methylphenyl)propanamide
CID 154643466

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(propanoylamino)phenyl]methyl N-methylcarbamate?
The IUPAC name of [3-fluoro-4-(propanoylamino)phenyl]methyl N-methylcarbamate (CID 170257650) is [3-fluoro-4-(propanoylamino)phenyl]methyl N-methylcarbamate.
What is the SMILES notation for [3-fluoro-4-(propanoylamino)phenyl]methyl N-methylcarbamate?
The canonical SMILES for [3-fluoro-4-(propanoylamino)phenyl]methyl N-methylcarbamate is CCC(=O)Nc1ccc(COC(=O)NC)cc1F.
What is the InChIKey of [3-fluoro-4-(propanoylamino)phenyl]methyl N-methylcarbamate?
The InChIKey is SADBWINAZOBLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-3-11(16)15-10-5-4-8(6-9(10)13)7-18-12(17)14-2/h4-6H,3,7H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of [3-fluoro-4-(propanoylamino)phenyl]methyl N-methylcarbamate?
[3-fluoro-4-(propanoylamino)phenyl]methyl N-methylcarbamate has a molecular weight of 254.26 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(propanoylamino)phenyl]methyl N-methylcarbamate is sourced from PubChem (CID 170257650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).