N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide

C20H23F2N3O3 — CID 55523191

IUPACN-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
SMILESCOc1ccc(C(CNC(=O)CNC(=O)c2ccc(F)cc2F)N(C)C)cc1
InChIInChI=1S/C20H23F2N3O3/c1-25(2)18(13-4-7-15(28-3)8-5-13)11-23-19(26)12-24-20(27)16-9-6-14(21)10-17(16)22/h4-10,18H,11-12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyJOWJZCNVKCDVLQ-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.12
Rot. Bonds8

About N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide

N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide (PubChem CID 55523191) has the molecular formula C20H23F2N3O3 and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
PubChem CID55523191
Molecular FormulaC20H23F2N3O3
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC NameN-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
SMILESCOc1ccc(C(CNC(=O)CNC(=O)c2ccc(F)cc2F)N(C)C)cc1
InChIInChI=1S/C20H23F2N3O3/c1-25(2)18(13-4-7-15(28-3)8-5-13)11-23-19(26)12-24-20(27)16-9-6-14(21)10-17(16)22/h4-10,18H,11-12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyJOWJZCNVKCDVLQ-UHFFFAOYSA-N
XLogP2.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 134036254
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001828
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638
2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 28560292
5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 9267207
N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide
CID 9224867
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide
CID 110302068
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46446864
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 40901223
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 3951994
N-[3-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]-2-methoxybenzamide
CID 30314343
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate
CID 30312687

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide (CID 55523191) is N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide is COc1ccc(C(CNC(=O)CNC(=O)c2ccc(F)cc2F)N(C)C)cc1.
What is the InChIKey of N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide?
The InChIKey is JOWJZCNVKCDVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3/c1-25(2)18(13-4-7-15(28-3)8-5-13)11-23-19(26)12-24-20(27)16-9-6-14(21)10-17(16)22/h4-10,18H,11-12H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide?
N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide has a molecular weight of 391.42 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 55523191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).