3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3,4-difluorophenyl)propanamide

C19H20F4N2O3 — CID 55482218

IUPAC3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3,4-difluorophenyl)propanamide
SMILESCOc1cc(CN(C)CCC(=O)Nc2ccc(F)c(F)c2)ccc1OC(F)F
InChIInChI=1S/C19H20F4N2O3/c1-25(8-7-18(26)24-13-4-5-14(20)15(21)10-13)11-12-3-6-16(28-19(22)23)17(9-12)27-2/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,24,26)
InChIKeyHAYCPOLMLNLFNR-UHFFFAOYSA-N
MW400.37 g/mol
LogP4.04
Rot. Bonds9

About 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3,4-difluorophenyl)propanamide

3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3,4-difluorophenyl)propanamide (PubChem CID 55482218) has the molecular formula C19H20F4N2O3 and a molecular weight of 400.37 g/mol. Its IUPAC name is 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3,4-difluorophenyl)propanamide
PubChem CID55482218
Molecular FormulaC19H20F4N2O3
Molecular Weight400.37 g/mol
Exact Mass400.14
IUPAC Name3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3,4-difluorophenyl)propanamide
SMILESCOc1cc(CN(C)CCC(=O)Nc2ccc(F)c(F)c2)ccc1OC(F)F
InChIInChI=1S/C19H20F4N2O3/c1-25(8-7-18(26)24-13-4-5-14(20)15(21)10-13)11-12-3-6-16(28-19(22)23)17(9-12)27-2/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,24,26)
InChIKeyHAYCPOLMLNLFNR-UHFFFAOYSA-N
XLogP4.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide
CID 46429061
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoic acid
CID 60648152
N-(3,4-difluorophenyl)-2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]acetamide
CID 8845299
N-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide
CID 24589003
2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-N-(4-fluorophenyl)acetamide
CID 26379534
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
CID 113122095
3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040581
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8969526
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 40712202
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9104719
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 8786139
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113119361

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3,4-difluorophenyl)propanamide (CID 55482218) is 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3,4-difluorophenyl)propanamide is COc1cc(CN(C)CCC(=O)Nc2ccc(F)c(F)c2)ccc1OC(F)F.
What is the InChIKey of 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3,4-difluorophenyl)propanamide?
The InChIKey is HAYCPOLMLNLFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N2O3/c1-25(8-7-18(26)24-13-4-5-14(20)15(21)10-13)11-12-3-6-16(28-19(22)23)17(9-12)27-2/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,24,26).
What are the key properties of 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3,4-difluorophenyl)propanamide?
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3,4-difluorophenyl)propanamide has a molecular weight of 400.37 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 55482218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).