methyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate

C18H19FN2O4 — CID 94537723

IUPACmethyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O4/c1-12(13-3-5-14(19)6-4-13)20-17(22)11-25-16-9-7-15(8-10-16)21-18(23)24-2/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyFURRGXXBXSQUHG-LBPRGKRZSA-N
MW346.36 g/mol
LogP3.26
Rot. Bonds6

About methyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate

methyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate (PubChem CID 94537723) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is methyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate
PubChem CID94537723
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Namemethyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O4/c1-12(13-3-5-14(19)6-4-13)20-17(22)11-25-16-9-7-15(8-10-16)21-18(23)24-2/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyFURRGXXBXSQUHG-LBPRGKRZSA-N
XLogP3.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate
CID 47059941
methyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate
CID 60522763
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 61026509
N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876946
2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2462788
2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561037
2-(4-ethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561038
methyl 2-[4-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]acetate
CID 94014472
4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 51139810
N-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 43906348
N-[1-(4-fluorophenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 43906314

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate?
The IUPAC name of methyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate (CID 94537723) is methyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate is COC(=O)Nc1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1.
What is the InChIKey of methyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate?
The InChIKey is FURRGXXBXSQUHG-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-12(13-3-5-14(19)6-4-13)20-17(22)11-25-16-9-7-15(8-10-16)21-18(23)24-2/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1.
What are the key properties of methyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate?
methyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate has a molecular weight of 346.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]carbamate is sourced from PubChem (CID 94537723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).