methyl N-[1,2-bis(2,3-difluorophenyl)ethyl]carbamate

C16H13F4NO2 — CID 69404832

IUPACmethyl N-[1,2-bis(2,3-difluorophenyl)ethyl]carbamate
SMILESCOC(=O)NC(Cc1cccc(F)c1F)c1cccc(F)c1F
InChIInChI=1S/C16H13F4NO2/c1-23-16(22)21-13(10-5-3-7-12(18)15(10)20)8-9-4-2-6-11(17)14(9)19/h2-7,13H,8H2,1H3,(H,21,22)
InChIKeySMUKDLLMJHKMJC-UHFFFAOYSA-N
MW327.28 g/mol
LogP3.88
Rot. Bonds4

About methyl N-[1,2-bis(2,3-difluorophenyl)ethyl]carbamate

methyl N-[1,2-bis(2,3-difluorophenyl)ethyl]carbamate (PubChem CID 69404832) has the molecular formula C16H13F4NO2 and a molecular weight of 327.28 g/mol. Its IUPAC name is methyl N-[1,2-bis(2,3-difluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1,2-bis(2,3-difluorophenyl)ethyl]carbamate
PubChem CID69404832
Molecular FormulaC16H13F4NO2
Molecular Weight327.28 g/mol
Exact Mass327.09
IUPAC Namemethyl N-[1,2-bis(2,3-difluorophenyl)ethyl]carbamate
SMILESCOC(=O)NC(Cc1cccc(F)c1F)c1cccc(F)c1F
InChIInChI=1S/C16H13F4NO2/c1-23-16(22)21-13(10-5-3-7-12(18)15(10)20)8-9-4-2-6-11(17)14(9)19/h2-7,13H,8H2,1H3,(H,21,22)
InChIKeySMUKDLLMJHKMJC-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl N-[1,2-bis(2,3-difluorophenyl)ethyl]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 2-chloro-3-(2,3-difluorophenyl)propanoate
CID 83195193
methyl 2-(aminomethyl)-3-(2,3-difluorophenyl)propanoate
CID 63669742
3-(2,3-difluorophenyl)-2-methylpropanoic acid
CID 61130457
[2-(3-chloro-2-fluorophenyl)-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 105264357
methyl 4-(2,3-difluorophenyl)-3-oxobutanoate
CID 45156338
[1-(5-chloro-2-methoxyphenyl)-2-(2,3-difluorophenyl)ethyl]hydrazine
CID 105297967
methyl 3-amino-3-(2,3-difluorophenyl)propanoate
CID 63668898
3-(2,3-difluorophenyl)-3-(propylamino)propanoic acid
CID 65234358
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
[2-(2,3-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105256977
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863644

Frequently Asked Questions

What is the IUPAC name of methyl N-[1,2-bis(2,3-difluorophenyl)ethyl]carbamate?
The IUPAC name of methyl N-[1,2-bis(2,3-difluorophenyl)ethyl]carbamate (CID 69404832) is methyl N-[1,2-bis(2,3-difluorophenyl)ethyl]carbamate.
What is the SMILES notation for methyl N-[1,2-bis(2,3-difluorophenyl)ethyl]carbamate?
The canonical SMILES for methyl N-[1,2-bis(2,3-difluorophenyl)ethyl]carbamate is COC(=O)NC(Cc1cccc(F)c1F)c1cccc(F)c1F.
What is the InChIKey of methyl N-[1,2-bis(2,3-difluorophenyl)ethyl]carbamate?
The InChIKey is SMUKDLLMJHKMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO2/c1-23-16(22)21-13(10-5-3-7-12(18)15(10)20)8-9-4-2-6-11(17)14(9)19/h2-7,13H,8H2,1H3,(H,21,22).
What are the key properties of methyl N-[1,2-bis(2,3-difluorophenyl)ethyl]carbamate?
methyl N-[1,2-bis(2,3-difluorophenyl)ethyl]carbamate has a molecular weight of 327.28 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1,2-bis(2,3-difluorophenyl)ethyl]carbamate is sourced from PubChem (CID 69404832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).