methyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate

C17H17FN2O4 — CID 60513687

IUPACmethyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)COc2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN2O4/c1-23-17(22)20-14-7-5-12(6-8-14)10-19-16(21)11-24-15-4-2-3-13(18)9-15/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyMQBNMMPFIUPFPB-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.70
Rot. Bonds6

About methyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate

methyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate (PubChem CID 60513687) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is methyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate
PubChem CID60513687
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Namemethyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)COc2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN2O4/c1-23-17(22)20-14-7-5-12(6-8-14)10-19-16(21)11-24-15-4-2-3-13(18)9-15/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyMQBNMMPFIUPFPB-UHFFFAOYSA-N
XLogP2.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110780897
methyl N-[4-[[[2-(2,4-difluorophenoxy)acetyl]amino]methyl]phenyl]carbamate
CID 55844046
N-[(4-ethylsulfanylphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110784568
2-(3-fluorophenoxy)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]acetamide
CID 110730575
methyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
CID 7834630
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
methyl N-[4-[[[N-[2-(3-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]carbamate;hydroiodide
CID 111681647
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
N-(3,5-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 16545555
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2711600
2-(3-fluorophenoxy)-N-prop-2-ynylacetamide
CID 9008020
N-(4-bromophenyl)-3-[[2-(3-fluorophenoxy)acetyl]amino]propanamide
CID 47067523

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate (CID 60513687) is methyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate is COC(=O)Nc1ccc(CNC(=O)COc2cccc(F)c2)cc1.
What is the InChIKey of methyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate?
The InChIKey is MQBNMMPFIUPFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-23-17(22)20-14-7-5-12(6-8-14)10-19-16(21)11-24-15-4-2-3-13(18)9-15/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of methyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate?
methyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate has a molecular weight of 332.33 g/mol, XLogP of 2.70, 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-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate is sourced from PubChem (CID 60513687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).