N-(2-chlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide

C20H21ClN4O5 — CID 4824789

IUPACN-(2-chlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C20H21ClN4O5/c1-25(11-18(26)23-15-5-3-2-4-14(15)21)12-19(27)24-20(28)22-13-6-7-16-17(10-13)30-9-8-29-16/h2-7,10H,8-9,11-12H2,1H3,(H,23,26)(H2,22,24,27,28)
InChIKeyDCCOLZVINOWWOC-UHFFFAOYSA-N
MW432.86 g/mol
LogP2.33
Rot. Bonds6

About N-(2-chlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide

N-(2-chlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 4824789) has the molecular formula C20H21ClN4O5 and a molecular weight of 432.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
PubChem CID4824789
Molecular FormulaC20H21ClN4O5
Molecular Weight432.86 g/mol
Exact Mass432.12
IUPAC NameN-(2-chlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C20H21ClN4O5/c1-25(11-18(26)23-15-5-3-2-4-14(15)21)12-19(27)24-20(28)22-13-6-7-16-17(10-13)30-9-8-29-16/h2-7,10H,8-9,11-12H2,1H3,(H,23,26)(H2,22,24,27,28)
InChIKeyDCCOLZVINOWWOC-UHFFFAOYSA-N
XLogP2.33
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.86
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2-chlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 9166245
N-(2,4-dichlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-propylamino]acetamide
CID 27246590
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 27218401
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2698454
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
CID 24681096
N'-(3-chloro-2-methylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide
CID 108955118
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222934
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 16606582
N-(2-chlorophenyl)-2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9036505
3-[[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911809
N-(4-bromo-3-methylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 27221148
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135616506

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide (CID 4824789) is N-(2-chlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is DCCOLZVINOWWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O5/c1-25(11-18(26)23-15-5-3-2-4-14(15)21)12-19(27)24-20(28)22-13-6-7-16-17(10-13)30-9-8-29-16/h2-7,10H,8-9,11-12H2,1H3,(H,23,26)(H2,22,24,27,28).
What are the key properties of N-(2-chlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide?
N-(2-chlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 432.86 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 4824789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).