2-(3,4-dichlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide

C17H15Cl2N3O3 — CID 49169219

IUPAC2-(3,4-dichlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)COc3ccc(Cl)c(Cl)c3)ccc21
InChIInChI=1S/C17H15Cl2N3O3/c1-21-14-6-3-10(7-15(14)22(2)17(21)24)20-16(23)9-25-11-4-5-12(18)13(19)8-11/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyDEZUYAFPIDJSEX-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.20
Rot. Bonds4

About 2-(3,4-dichlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide

2-(3,4-dichlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide (PubChem CID 49169219) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
PubChem CID49169219
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC Name2-(3,4-dichlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)COc3ccc(Cl)c(Cl)c3)ccc21
InChIInChI=1S/C17H15Cl2N3O3/c1-21-14-6-3-10(7-15(14)22(2)17(21)24)20-16(23)9-25-11-4-5-12(18)13(19)8-11/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyDEZUYAFPIDJSEX-UHFFFAOYSA-N
XLogP3.20
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 6491422
4-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2092735
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)acetamide
CID 6458101
2-(4-chloro-3-methylphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100531271
2-(3,4-dichlorophenoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 2706581
N-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 112827932
N-(3,4-dichlorophenyl)-2-(4-ethylphenoxy)acetamide
CID 706860
2-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide
CID 39683774
3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 9196891
2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide
CID 110721724
N-(3,4-dichlorophenyl)-2-(4-phenoxyphenoxy)acetamide
CID 2319916

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide (CID 49169219) is 2-(3,4-dichlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide is Cn1c(=O)n(C)c2cc(NC(=O)COc3ccc(Cl)c(Cl)c3)ccc21.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The InChIKey is DEZUYAFPIDJSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c1-21-14-6-3-10(7-15(14)22(2)17(21)24)20-16(23)9-25-11-4-5-12(18)13(19)8-11/h3-8H,9H2,1-2H3,(H,20,23).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
2-(3,4-dichlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide has a molecular weight of 380.23 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 49169219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).