N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide

C19H18Cl2N4O3 — CID 4792677

IUPACN-(5-chloro-2-methoxyphenyl)-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)Cc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H18Cl2N4O3/c1-25(10-17(26)22-15-9-14(21)7-8-16(15)27-2)11-18-23-19(24-28-18)12-3-5-13(20)6-4-12/h3-9H,10-11H2,1-2H3,(H,22,26)
InChIKeyQIGZWNOMKWDQFD-UHFFFAOYSA-N
MW421.28 g/mol
LogP4.12
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide (PubChem CID 4792677) has the molecular formula C19H18Cl2N4O3 and a molecular weight of 421.28 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
PubChem CID4792677
Molecular FormulaC19H18Cl2N4O3
Molecular Weight421.28 g/mol
Exact Mass420.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)Cc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H18Cl2N4O3/c1-25(10-17(26)22-15-9-14(21)7-8-16(15)27-2)11-18-23-19(24-28-18)12-3-5-13(20)6-4-12/h3-9H,10-11H2,1-2H3,(H,22,26)
InChIKeyQIGZWNOMKWDQFD-UHFFFAOYSA-N
XLogP4.12
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
CID 9039208
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 55500294
N-(5-chloro-2-methoxyphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31066407
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16566199
N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 20912675
5-chloro-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-methylbenzamide
CID 8875250
N-(5-chloro-2-methoxyphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8550831
2-[(4-bromo-2,5-dimethoxyphenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 17439790
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
N-(5-chloro-2-methoxyphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760642
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119912219
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide (CID 4792677) is N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)Cc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide?
The InChIKey is QIGZWNOMKWDQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O3/c1-25(10-17(26)22-15-9-14(21)7-8-16(15)27-2)11-18-23-19(24-28-18)12-3-5-13(20)6-4-12/h3-9H,10-11H2,1-2H3,(H,22,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide has a molecular weight of 421.28 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 4792677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).