N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C17H16ClN3O3 — CID 110772221

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H16ClN3O3/c1-9-5-14(15(24-2)8-11(9)18)19-16(22)7-10-3-4-12-13(6-10)21-17(23)20-12/h3-6,8H,7H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyZHPNTIMXURADIS-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.01
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 110772221) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID110772221
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H16ClN3O3/c1-9-5-14(15(24-2)8-11(9)18)19-16(22)7-10-3-4-12-13(6-10)21-17(23)20-12/h3-6,8H,7H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyZHPNTIMXURADIS-UHFFFAOYSA-N
XLogP3.01
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020003
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 8501521
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220940
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 23931648
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 4799937
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
CID 108946828
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(furan-2-yl)acetamide
CID 110690762
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604853

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 110772221) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)Cc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is ZHPNTIMXURADIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-9-5-14(15(24-2)8-11(9)18)19-16(22)7-10-3-4-12-13(6-10)21-17(23)20-12/h3-6,8H,7H2,1-2H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 345.79 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 110772221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).