2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide

C24H22Cl2N4O3 — CID 27253562

IUPAC2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C24H22Cl2N4O3/c1-30(15-22(32)29-23-18(25)11-7-12-19(23)26)14-21(31)28-20-13-6-5-10-17(20)24(33)27-16-8-3-2-4-9-16/h2-13H,14-15H2,1H3,(H,27,33)(H,28,31)(H,29,32)
InChIKeyAPBWSNVAKXSWJI-UHFFFAOYSA-N
MW485.37 g/mol
LogP4.75
Rot. Bonds8

About 2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide

2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide (PubChem CID 27253562) has the molecular formula C24H22Cl2N4O3 and a molecular weight of 485.37 g/mol. Its IUPAC name is 2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
PubChem CID27253562
Molecular FormulaC24H22Cl2N4O3
Molecular Weight485.37 g/mol
Exact Mass484.11
IUPAC Name2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C24H22Cl2N4O3/c1-30(15-22(32)29-23-18(25)11-7-12-19(23)26)14-21(31)28-20-13-6-5-10-17(20)24(33)27-16-8-3-2-4-9-16/h2-13H,14-15H2,1H3,(H,27,33)(H,28,31)(H,29,32)
InChIKeyAPBWSNVAKXSWJI-UHFFFAOYSA-N
XLogP4.75
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.37
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 16555132
2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-phenylbenzamide
CID 2469957
N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 78825949
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2658446
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2521413
2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2474016
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55411601
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-phenylacetamide
CID 34925634
2-[[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8914883
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 8712443
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2657576

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide (CID 27253562) is 2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide is CN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide?
The InChIKey is APBWSNVAKXSWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O3/c1-30(15-22(32)29-23-18(25)11-7-12-19(23)26)14-21(31)28-20-13-6-5-10-17(20)24(33)27-16-8-3-2-4-9-16/h2-13H,14-15H2,1H3,(H,27,33)(H,28,31)(H,29,32).
What are the key properties of 2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide?
2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide has a molecular weight of 485.37 g/mol, XLogP of 4.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 27253562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).