2-[(3,4-difluorophenyl)methyl-methylamino]-N-(3,4,5-trimethoxyphenyl)acetamide

C19H22F2N2O4 — CID 30796172

IUPAC2-[(3,4-difluorophenyl)methyl-methylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(C)Cc2ccc(F)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C19H22F2N2O4/c1-23(10-12-5-6-14(20)15(21)7-12)11-18(24)22-13-8-16(25-2)19(27-4)17(9-13)26-3/h5-9H,10-11H2,1-4H3,(H,22,24)
InChIKeyPTADVPGPAHEILG-UHFFFAOYSA-N
MW380.39 g/mol
LogP3.06
Rot. Bonds8

About 2-[(3,4-difluorophenyl)methyl-methylamino]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[(3,4-difluorophenyl)methyl-methylamino]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 30796172) has the molecular formula C19H22F2N2O4 and a molecular weight of 380.39 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl-methylamino]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl-methylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID30796172
Molecular FormulaC19H22F2N2O4
Molecular Weight380.39 g/mol
Exact Mass380.15
IUPAC Name2-[(3,4-difluorophenyl)methyl-methylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(C)Cc2ccc(F)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C19H22F2N2O4/c1-23(10-12-5-6-14(20)15(21)7-12)11-18(24)22-13-8-16(25-2)19(27-4)17(9-13)26-3/h5-9H,10-11H2,1-4H3,(H,22,24)
InChIKeyPTADVPGPAHEILG-UHFFFAOYSA-N
XLogP3.06
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-hydroxyphenyl)acetamide
CID 18124502
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 18127200
2-[benzyl(methyl)amino]-N-(3,5-difluoro-4-methoxyphenyl)acetamide
CID 86861767
N-(3,4-difluorophenyl)-2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]acetamide
CID 8845299
N-(3,4-dichlorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432773
N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658802
N-(5-chloro-2-fluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432683
methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate
CID 78912327
N-(4-bromo-3-methylphenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9431404
2-(3,4-difluorophenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26216294
propan-2-yl 4-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9432650
N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 9199146

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl-methylamino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl-methylamino]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 30796172) is 2-[(3,4-difluorophenyl)methyl-methylamino]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl-methylamino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl-methylamino]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CN(C)Cc2ccc(F)c(F)c2)cc(OC)c1OC.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl-methylamino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is PTADVPGPAHEILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O4/c1-23(10-12-5-6-14(20)15(21)7-12)11-18(24)22-13-8-16(25-2)19(27-4)17(9-13)26-3/h5-9H,10-11H2,1-4H3,(H,22,24).
What are the key properties of 2-[(3,4-difluorophenyl)methyl-methylamino]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[(3,4-difluorophenyl)methyl-methylamino]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 380.39 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl-methylamino]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 30796172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).