2-(2-fluorophenyl)ethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate

C18H20FNO4 — CID 6736700

IUPAC2-(2-fluorophenyl)ethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CNC(=O)OCCc2ccccc2F)c(OC)c1
InChIInChI=1S/C18H20FNO4/c1-22-15-8-7-14(17(11-15)23-2)12-20-18(21)24-10-9-13-5-3-4-6-16(13)19/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyWQYCQELJWBJJBU-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.31
Rot. Bonds7

About 2-(2-fluorophenyl)ethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate

2-(2-fluorophenyl)ethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate (PubChem CID 6736700) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)ethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name2-(2-fluorophenyl)ethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate
PubChem CID6736700
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC Name2-(2-fluorophenyl)ethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CNC(=O)OCCc2ccccc2F)c(OC)c1
InChIInChI=1S/C18H20FNO4/c1-22-15-8-7-14(17(11-15)23-2)12-20-18(21)24-10-9-13-5-3-4-6-16(13)19/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyWQYCQELJWBJJBU-UHFFFAOYSA-N
XLogP3.31
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 46590232
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 8666148
9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate
CID 57188934
2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate
CID 6735895
(2,4-dimethoxyphenyl)methylurea
CID 53362457
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
N-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962476
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)acetamide
CID 1228251
N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 46354270
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide
CID 120587952
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide
CID 71822155

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)ethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate?
The IUPAC name of 2-(2-fluorophenyl)ethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate (CID 6736700) is 2-(2-fluorophenyl)ethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate.
What is the SMILES notation for 2-(2-fluorophenyl)ethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate?
The canonical SMILES for 2-(2-fluorophenyl)ethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate is COc1ccc(CNC(=O)OCCc2ccccc2F)c(OC)c1.
What is the InChIKey of 2-(2-fluorophenyl)ethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate?
The InChIKey is WQYCQELJWBJJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-22-15-8-7-14(17(11-15)23-2)12-20-18(21)24-10-9-13-5-3-4-6-16(13)19/h3-8,11H,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-fluorophenyl)ethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate?
2-(2-fluorophenyl)ethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate has a molecular weight of 333.36 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)ethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate is sourced from PubChem (CID 6736700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).