N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide

C21H25F2N3O4 — CID 2658514

IUPACN-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(F)c(F)c2)cc1OCC
InChIInChI=1S/C21H25F2N3O4/c1-4-29-18-9-7-15(11-19(18)30-5-2)25-21(28)13-26(3)12-20(27)24-14-6-8-16(22)17(23)10-14/h6-11H,4-5,12-13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyQHZPELVZCJMNAC-UHFFFAOYSA-N
MW421.44 g/mol
LogP3.27
Rot. Bonds10

About N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide

N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 2658514) has the molecular formula C21H25F2N3O4 and a molecular weight of 421.44 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID2658514
Molecular FormulaC21H25F2N3O4
Molecular Weight421.44 g/mol
Exact Mass421.18
IUPAC NameN-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(F)c(F)c2)cc1OCC
InChIInChI=1S/C21H25F2N3O4/c1-4-29-18-9-7-15(11-19(18)30-5-2)25-21(28)13-26(3)12-20(27)24-14-6-8-16(22)17(23)10-14/h6-11H,4-5,12-13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyQHZPELVZCJMNAC-UHFFFAOYSA-N
XLogP3.27
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729092
N-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658528
N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 7910523
N-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712469
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 2112863
2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide
CID 42915427
3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 31186118
N-(3,4-diethoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
CID 31779571
2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912469
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide
CID 43007494
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide (CID 2658514) is N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide is CCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(F)c(F)c2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is QHZPELVZCJMNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O4/c1-4-29-18-9-7-15(11-19(18)30-5-2)25-21(28)13-26(3)12-20(27)24-14-6-8-16(22)17(23)10-14/h6-11H,4-5,12-13H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide?
N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 421.44 g/mol, XLogP of 3.27, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 2658514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).