N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C22H25ClN4O3 — CID 38661995

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)N(C)CC(=O)Nc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C22H25ClN4O3/c1-3-13-26-18-10-6-7-11-19(18)27(22(26)30)14-12-21(29)25(2)15-20(28)24-17-9-5-4-8-16(17)23/h4-11H,3,12-15H2,1-2H3,(H,24,28)
InChIKeyQUGAOVKSWHNOQQ-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.35
Rot. Bonds8

About N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 38661995) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID38661995
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)N(C)CC(=O)Nc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C22H25ClN4O3/c1-3-13-26-18-10-6-7-11-19(18)27(22(26)30)14-12-21(29)25(2)15-20(28)24-17-9-5-4-8-16(17)23/h4-11H,3,12-15H2,1-2H3,(H,24,28)
InChIKeyQUGAOVKSWHNOQQ-UHFFFAOYSA-N
XLogP3.35
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 26021542
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 17464561
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-methylindol-1-yl)acetamide
CID 9090072
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 9145607
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 38663684
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
CID 7851347
N-(2-chlorophenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 7799529
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylacetamide
CID 4787114
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 26065396
2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37229214
N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 31971689

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 38661995) is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)N(C)CC(=O)Nc2ccccc2Cl)c2ccccc21.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is QUGAOVKSWHNOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-3-13-26-18-10-6-7-11-19(18)27(22(26)30)14-12-21(29)25(2)15-20(28)24-17-9-5-4-8-16(17)23/h4-11H,3,12-15H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 428.92 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 38661995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).