[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-acetamido-3-methylbenzoate

C19H19F2NO5 — CID 24602070

IUPAC[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-acetamido-3-methylbenzoate
SMILESCOc1cc(COC(=O)c2cccc(C)c2NC(C)=O)ccc1OC(F)F
InChIInChI=1S/C19H19F2NO5/c1-11-5-4-6-14(17(11)22-12(2)23)18(24)26-10-13-7-8-15(27-19(20)21)16(9-13)25-3/h4-9,19H,10H2,1-3H3,(H,22,23)
InChIKeyXNFSQQVRPMEQEJ-UHFFFAOYSA-N
MW379.36 g/mol
LogP3.92
Rot. Bonds7

About [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-acetamido-3-methylbenzoate

[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-acetamido-3-methylbenzoate (PubChem CID 24602070) has the molecular formula C19H19F2NO5 and a molecular weight of 379.36 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-acetamido-3-methylbenzoate.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-acetamido-3-methylbenzoate
PubChem CID24602070
Molecular FormulaC19H19F2NO5
Molecular Weight379.36 g/mol
Exact Mass379.12
IUPAC Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-acetamido-3-methylbenzoate
SMILESCOc1cc(COC(=O)c2cccc(C)c2NC(C)=O)ccc1OC(F)F
InChIInChI=1S/C19H19F2NO5/c1-11-5-4-6-14(17(11)22-12(2)23)18(24)26-10-13-7-8-15(27-19(20)21)16(9-13)25-3/h4-9,19H,10H2,1-3H3,(H,22,23)
InChIKeyXNFSQQVRPMEQEJ-UHFFFAOYSA-N
XLogP3.92
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-acetamido-3-methylbenzoate 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

(2-methoxy-5-methylphenyl)methyl 2-acetamido-3-methylbenzoate
CID 18169991
4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42115193
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide
CID 9017937
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 7214372
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 30137420
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-methylbenzamide
CID 27883593
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133924
[4-(difluoromethoxy)-3-methoxyphenyl]methyl butanoate
CID 78805538
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 86826541
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 8898861
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 30760216
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-iodo-3-methylbenzamide
CID 55691012

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-acetamido-3-methylbenzoate?
The IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-acetamido-3-methylbenzoate (CID 24602070) is [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-acetamido-3-methylbenzoate.
What is the SMILES notation for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-acetamido-3-methylbenzoate?
The canonical SMILES for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-acetamido-3-methylbenzoate is COc1cc(COC(=O)c2cccc(C)c2NC(C)=O)ccc1OC(F)F.
What is the InChIKey of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-acetamido-3-methylbenzoate?
The InChIKey is XNFSQQVRPMEQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO5/c1-11-5-4-6-14(17(11)22-12(2)23)18(24)26-10-13-7-8-15(27-19(20)21)16(9-13)25-3/h4-9,19H,10H2,1-3H3,(H,22,23).
What are the key properties of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-acetamido-3-methylbenzoate?
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-acetamido-3-methylbenzoate has a molecular weight of 379.36 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-acetamido-3-methylbenzoate is sourced from PubChem (CID 24602070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).