methyl N-[4-[[[2-(2,4-difluorophenoxy)acetyl]amino]methyl]phenyl]carbamate

C17H16F2N2O4 — CID 55844046

IUPACmethyl N-[4-[[[2-(2,4-difluorophenoxy)acetyl]amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)COc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H16F2N2O4/c1-24-17(23)21-13-5-2-11(3-6-13)9-20-16(22)10-25-15-7-4-12(18)8-14(15)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyZFIGAWSNLARNIX-UHFFFAOYSA-N
MW350.32 g/mol
LogP2.84
Rot. Bonds6

About methyl N-[4-[[[2-(2,4-difluorophenoxy)acetyl]amino]methyl]phenyl]carbamate

methyl N-[4-[[[2-(2,4-difluorophenoxy)acetyl]amino]methyl]phenyl]carbamate (PubChem CID 55844046) has the molecular formula C17H16F2N2O4 and a molecular weight of 350.32 g/mol. Its IUPAC name is methyl N-[4-[[[2-(2,4-difluorophenoxy)acetyl]amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[[2-(2,4-difluorophenoxy)acetyl]amino]methyl]phenyl]carbamate
PubChem CID55844046
Molecular FormulaC17H16F2N2O4
Molecular Weight350.32 g/mol
Exact Mass350.11
IUPAC Namemethyl N-[4-[[[2-(2,4-difluorophenoxy)acetyl]amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)COc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H16F2N2O4/c1-24-17(23)21-13-5-2-11(3-6-13)9-20-16(22)10-25-15-7-4-12(18)8-14(15)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyZFIGAWSNLARNIX-UHFFFAOYSA-N
XLogP2.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[4-[[[2-(2,4-difluorophenoxy)acetyl]amino]methyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate
CID 60513687
2-(2,4-difluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 25236315
2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280
methyl N-[4-[[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]methyl]phenyl]carbamate
CID 55732069
2-(2,4-difluorophenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 31987382
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 17401947
2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 3624933
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[[2-(2,4-difluorophenoxy)acetyl]amino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[[2-(2,4-difluorophenoxy)acetyl]amino]methyl]phenyl]carbamate (CID 55844046) is methyl N-[4-[[[2-(2,4-difluorophenoxy)acetyl]amino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[[2-(2,4-difluorophenoxy)acetyl]amino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[[2-(2,4-difluorophenoxy)acetyl]amino]methyl]phenyl]carbamate is COC(=O)Nc1ccc(CNC(=O)COc2ccc(F)cc2F)cc1.
What is the InChIKey of methyl N-[4-[[[2-(2,4-difluorophenoxy)acetyl]amino]methyl]phenyl]carbamate?
The InChIKey is ZFIGAWSNLARNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O4/c1-24-17(23)21-13-5-2-11(3-6-13)9-20-16(22)10-25-15-7-4-12(18)8-14(15)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of methyl N-[4-[[[2-(2,4-difluorophenoxy)acetyl]amino]methyl]phenyl]carbamate?
methyl N-[4-[[[2-(2,4-difluorophenoxy)acetyl]amino]methyl]phenyl]carbamate has a molecular weight of 350.32 g/mol, XLogP of 2.84, 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-(2,4-difluorophenoxy)acetyl]amino]methyl]phenyl]carbamate is sourced from PubChem (CID 55844046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).