ethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate

C12H16FNO3 — CID 110291402

IUPACethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate
SMILESCCOC(=O)NCC(C)(O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO3/c1-3-17-11(15)14-8-12(2,16)9-4-6-10(13)7-5-9/h4-7,16H,3,8H2,1-2H3,(H,14,15)
InChIKeyRYIHLIBEFADXLA-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.78
Rot. Bonds4

About ethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate

ethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate (PubChem CID 110291402) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is ethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate
PubChem CID110291402
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Nameethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate
SMILESCCOC(=O)NCC(C)(O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO3/c1-3-17-11(15)14-8-12(2,16)9-4-6-10(13)7-5-9/h4-7,16H,3,8H2,1-2H3,(H,14,15)
InChIKeyRYIHLIBEFADXLA-UHFFFAOYSA-N
XLogP1.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 52904890
ethyl 3-(4-fluorophenyl)-3-(methylamino)butanoate
CID 65236908
ethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate
CID 79366999
4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
CID 71683994
N-[2-(4-bromophenyl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide
CID 110291633
(E)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-phenylpent-2-enamide
CID 110308972
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(4-methylphenyl)sulfonylurea
CID 110291410
(2E)-2-benzylidene-N-[2-(4-fluorophenyl)-2-hydroxypropyl]butanamide
CID 110308997
4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
CID 110308987
N-[2-(4-fluorophenyl)-2-hydroxypropyl]morpholine-4-carboxamide
CID 110291409
ethyl N-[3-(ethoxycarbonylamino)-2,2-bis[(ethoxycarbonylamino)methyl]propyl]carbamate
CID 87374449
benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate
CID 110291658

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate?
The IUPAC name of ethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate (CID 110291402) is ethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate.
What is the SMILES notation for ethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate?
The canonical SMILES for ethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate is CCOC(=O)NCC(C)(O)c1ccc(F)cc1.
What is the InChIKey of ethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate?
The InChIKey is RYIHLIBEFADXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-3-17-11(15)14-8-12(2,16)9-4-6-10(13)7-5-9/h4-7,16H,3,8H2,1-2H3,(H,14,15).
What are the key properties of ethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate?
ethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate has a molecular weight of 241.26 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate is sourced from PubChem (CID 110291402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).