N-(2,3-dichlorophenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide

C18H18Cl2F2N2O3 — CID 16555115

IUPACN-(2,3-dichlorophenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide
SMILESCOc1cc(CN(C)CC(=O)Nc2cccc(Cl)c2Cl)ccc1OC(F)F
InChIInChI=1S/C18H18Cl2F2N2O3/c1-24(10-16(25)23-13-5-3-4-12(19)17(13)20)9-11-6-7-14(27-18(21)22)15(8-11)26-2/h3-8,18H,9-10H2,1-2H3,(H,23,25)
InChIKeyYFNMTAIRDAEEHX-UHFFFAOYSA-N
MW419.26 g/mol
LogP4.67
Rot. Bonds8

About N-(2,3-dichlorophenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide

N-(2,3-dichlorophenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide (PubChem CID 16555115) has the molecular formula C18H18Cl2F2N2O3 and a molecular weight of 419.26 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide
PubChem CID16555115
Molecular FormulaC18H18Cl2F2N2O3
Molecular Weight419.26 g/mol
Exact Mass418.07
IUPAC NameN-(2,3-dichlorophenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide
SMILESCOc1cc(CN(C)CC(=O)Nc2cccc(Cl)c2Cl)ccc1OC(F)F
InChIInChI=1S/C18H18Cl2F2N2O3/c1-24(10-16(25)23-13-5-3-4-12(19)17(13)20)9-11-6-7-14(27-18(21)22)15(8-11)26-2/h3-8,18H,9-10H2,1-2H3,(H,23,25)
InChIKeyYFNMTAIRDAEEHX-UHFFFAOYSA-N
XLogP4.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.26
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 40712202
N-(2-chloro-3-pyridinyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide
CID 8558761
N-(2-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2698878
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dichlorophenyl)acetamide
CID 9136519
N-(2,3-dichlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 2574151
N-(2,3-dichlorophenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8550699
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]acetamide
CID 55628135
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide
CID 16555072
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide
CID 46801652
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9104719
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoic acid
CID 60648152
N-(2,3-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide
CID 31418500

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide (CID 16555115) is N-(2,3-dichlorophenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide is COc1cc(CN(C)CC(=O)Nc2cccc(Cl)c2Cl)ccc1OC(F)F.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide?
The InChIKey is YFNMTAIRDAEEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2F2N2O3/c1-24(10-16(25)23-13-5-3-4-12(19)17(13)20)9-11-6-7-14(27-18(21)22)15(8-11)26-2/h3-8,18H,9-10H2,1-2H3,(H,23,25).
What are the key properties of N-(2,3-dichlorophenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide?
N-(2,3-dichlorophenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide has a molecular weight of 419.26 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]acetamide is sourced from PubChem (CID 16555115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).