N-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-diethoxybenzamide

C21H24F2N2O4 — CID 134046635

IUPACN-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(F)cc2F)cc1OCC
InChIInChI=1S/C21H24F2N2O4/c1-4-28-18-9-7-14(10-19(18)29-5-2)21(27)24-12-20(26)25(3)13-15-6-8-16(22)11-17(15)23/h6-11H,4-5,12-13H2,1-3H3,(H,24,27)
InChIKeyMFKIYXQOSXJJTP-UHFFFAOYSA-N
MW406.43 g/mol
LogP3.15
Rot. Bonds9

About N-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-diethoxybenzamide

N-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-diethoxybenzamide (PubChem CID 134046635) has the molecular formula C21H24F2N2O4 and a molecular weight of 406.43 g/mol. Its IUPAC name is N-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
PubChem CID134046635
Molecular FormulaC21H24F2N2O4
Molecular Weight406.43 g/mol
Exact Mass406.17
IUPAC NameN-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(F)cc2F)cc1OCC
InChIInChI=1S/C21H24F2N2O4/c1-4-28-18-9-7-14(10-19(18)29-5-2)21(27)24-12-20(26)25(3)13-15-6-8-16(22)11-17(15)23/h6-11H,4-5,12-13H2,1-3H3,(H,24,27)
InChIKeyMFKIYXQOSXJJTP-UHFFFAOYSA-N
XLogP3.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diethoxy-N-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]benzamide
CID 38073078
3,4-diethoxy-N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]benzamide
CID 51164219
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 30905036
N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 34837733
4-fluoro-N-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 18113370
3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide
CID 55396470
2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51192378
4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51162813
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide
CID 112763849
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 55373690
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-diethoxybenzamide (CID 134046635) is N-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(F)cc2F)cc1OCC.
What is the InChIKey of N-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-diethoxybenzamide?
The InChIKey is MFKIYXQOSXJJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O4/c1-4-28-18-9-7-14(10-19(18)29-5-2)21(27)24-12-20(26)25(3)13-15-6-8-16(22)11-17(15)23/h6-11H,4-5,12-13H2,1-3H3,(H,24,27).
What are the key properties of N-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-diethoxybenzamide?
N-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-diethoxybenzamide has a molecular weight of 406.43 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 134046635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).