N-[2-(3,5-difluoroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-phenylmethoxybenzamide

C24H22F2N2O4 — CID 86883563

IUPACN-[2-(3,5-difluoroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)N(C)CC(=O)Nc2cc(F)cc(F)c2)ccc1OCc1ccccc1
InChIInChI=1S/C24H22F2N2O4/c1-28(14-23(29)27-20-12-18(25)11-19(26)13-20)24(30)17-8-9-21(22(10-17)31-2)32-15-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H,27,29)
InChIKeyZDVPLJMENGMYHC-UHFFFAOYSA-N
MW440.45 g/mol
LogP4.26
Rot. Bonds8

About N-[2-(3,5-difluoroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-phenylmethoxybenzamide

N-[2-(3,5-difluoroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-phenylmethoxybenzamide (PubChem CID 86883563) has the molecular formula C24H22F2N2O4 and a molecular weight of 440.45 g/mol. Its IUPAC name is N-[2-(3,5-difluoroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3,5-difluoroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-phenylmethoxybenzamide
PubChem CID86883563
Molecular FormulaC24H22F2N2O4
Molecular Weight440.45 g/mol
Exact Mass440.15
IUPAC NameN-[2-(3,5-difluoroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)N(C)CC(=O)Nc2cc(F)cc(F)c2)ccc1OCc1ccccc1
InChIInChI=1S/C24H22F2N2O4/c1-28(14-23(29)27-20-12-18(25)11-19(26)13-20)24(30)17-8-9-21(22(10-17)31-2)32-15-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H,27,29)
InChIKeyZDVPLJMENGMYHC-UHFFFAOYSA-N
XLogP4.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 46418355
N-(4-fluorophenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 9434497
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide
CID 8621107
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(phenoxymethyl)benzamide
CID 167897883
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-methoxy-N-methyl-3-nitrobenzamide
CID 7719448
(2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate
CID 7196850
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide
CID 9437901
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 40960600
3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide
CID 9418826
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-phenylmethoxybenzamide?
The IUPAC name of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-phenylmethoxybenzamide (CID 86883563) is N-[2-(3,5-difluoroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-phenylmethoxybenzamide?
The canonical SMILES for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-phenylmethoxybenzamide is COc1cc(C(=O)N(C)CC(=O)Nc2cc(F)cc(F)c2)ccc1OCc1ccccc1.
What is the InChIKey of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-phenylmethoxybenzamide?
The InChIKey is ZDVPLJMENGMYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O4/c1-28(14-23(29)27-20-12-18(25)11-19(26)13-20)24(30)17-8-9-21(22(10-17)31-2)32-15-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H,27,29).
What are the key properties of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-phenylmethoxybenzamide?
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-phenylmethoxybenzamide has a molecular weight of 440.45 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-phenylmethoxybenzamide is sourced from PubChem (CID 86883563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).