ethyl N-[2,2-difluoro-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]carbamate

C19H19F2NO4 — CID 15259432

IUPACethyl N-[2,2-difluoro-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]carbamate
SMILESCCOC(=O)NC(c1ccccc1)C(F)(F)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H19F2NO4/c1-3-26-18(24)22-16(13-7-5-4-6-8-13)19(20,21)17(23)14-9-11-15(25-2)12-10-14/h4-12,16H,3H2,1-2H3,(H,22,24)
InChIKeyOAGZMIOKELWEQD-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.00
Rot. Bonds7

About ethyl N-[2,2-difluoro-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]carbamate

ethyl N-[2,2-difluoro-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]carbamate (PubChem CID 15259432) has the molecular formula C19H19F2NO4 and a molecular weight of 363.36 g/mol. Its IUPAC name is ethyl N-[2,2-difluoro-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2,2-difluoro-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]carbamate
PubChem CID15259432
Molecular FormulaC19H19F2NO4
Molecular Weight363.36 g/mol
Exact Mass363.13
IUPAC Nameethyl N-[2,2-difluoro-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]carbamate
SMILESCCOC(=O)NC(c1ccccc1)C(F)(F)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H19F2NO4/c1-3-26-18(24)22-16(13-7-5-4-6-8-13)19(20,21)17(23)14-9-11-15(25-2)12-10-14/h4-12,16H,3H2,1-2H3,(H,22,24)
InChIKeyOAGZMIOKELWEQD-UHFFFAOYSA-N
XLogP4.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-fluoro-3-(4-methoxyanilino)-2-methyl-3-phenylpropanoate
CID 139665562
ethyl N-[(1R,2R)-2-bromo-1-(4-methoxyphenyl)-2-nitropropyl]carbamate
CID 56652475
ethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
CID 86017823
ethyl 2,2-difluoro-3-(2-methoxyanilino)-3-(4-methoxyphenyl)propanoate
CID 162536758
ethyl N-[2-benzoyl-3-hydroxy-1-(4-methoxyphenyl)-3-phenylprop-2-enyl]carbamate
CID 4224876
ethyl N-(2,2-dibromo-2-nitro-1-phenylethyl)carbamate
CID 56651777
3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one
CID 54202264
(2S)-4,4,4-trifluoro-1-(4-methoxyphenyl)-2-phenylbutan-1-one
CID 129404550
diethyl 2-[(S)-(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]propanedioate
CID 7323007
benzyl N-[4-bromo-2,2,3,3-tetrafluoro-1-(4-methoxyphenyl)pent-4-enyl]carbamate
CID 177492413
diethyl 2-[acetamido-(4-methoxyphenyl)methyl]-2-ethylpropanedioate
CID 3786807
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2,2-difluoro-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]carbamate?
The IUPAC name of ethyl N-[2,2-difluoro-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]carbamate (CID 15259432) is ethyl N-[2,2-difluoro-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]carbamate.
What is the SMILES notation for ethyl N-[2,2-difluoro-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]carbamate?
The canonical SMILES for ethyl N-[2,2-difluoro-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]carbamate is CCOC(=O)NC(c1ccccc1)C(F)(F)C(=O)c1ccc(OC)cc1.
What is the InChIKey of ethyl N-[2,2-difluoro-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]carbamate?
The InChIKey is OAGZMIOKELWEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO4/c1-3-26-18(24)22-16(13-7-5-4-6-8-13)19(20,21)17(23)14-9-11-15(25-2)12-10-14/h4-12,16H,3H2,1-2H3,(H,22,24).
What are the key properties of ethyl N-[2,2-difluoro-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]carbamate?
ethyl N-[2,2-difluoro-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]carbamate has a molecular weight of 363.36 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2,2-difluoro-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]carbamate is sourced from PubChem (CID 15259432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).