ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate

C13H18FNO3 — CID 71810594

IUPACethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate
SMILESCCOC(=O)NCC(C)(OC)c1ccccc1F
InChIInChI=1S/C13H18FNO3/c1-4-18-12(16)15-9-13(2,17-3)10-7-5-6-8-11(10)14/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyIFMPBBIYHYFJMC-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.43
Rot. Bonds5

About ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate

ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate (PubChem CID 71810594) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate
PubChem CID71810594
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Nameethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate
SMILESCCOC(=O)NCC(C)(OC)c1ccccc1F
InChIInChI=1S/C13H18FNO3/c1-4-18-12(16)15-9-13(2,17-3)10-7-5-6-8-11(10)14/h5-8H,4,9H2,1-3H3,(H,15,16)
InChIKeyIFMPBBIYHYFJMC-UHFFFAOYSA-N
XLogP2.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 97428304
4-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 90599067
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide
CID 90599312
2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 97428331
N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 97428501
N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-(trifluoromethyl)benzamide
CID 90599146
1-(4-chlorophenyl)-3-[2-(2-fluorophenyl)-2-methoxypropyl]urea
CID 90599413
1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[(4-fluorophenyl)methyl]urea
CID 97428533
N-[2-(2-fluorophenyl)-2-methoxypropyl]naphthalene-1-carboxamide
CID 90599111
(2R)-2-(2-fluorophenyl)-2-methoxypropan-1-amine
CID 96681773
2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 90599157
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-(3-methylphenyl)oxamide
CID 90599322

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate?
The IUPAC name of ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate (CID 71810594) is ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate?
The canonical SMILES for ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate is CCOC(=O)NCC(C)(OC)c1ccccc1F.
What is the InChIKey of ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate?
The InChIKey is IFMPBBIYHYFJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-4-18-12(16)15-9-13(2,17-3)10-7-5-6-8-11(10)14/h5-8H,4,9H2,1-3H3,(H,15,16).
What are the key properties of ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate?
ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate has a molecular weight of 255.29 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate is sourced from PubChem (CID 71810594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).