3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide

C15H17Cl2N3O3 — CID 86907623

IUPAC3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
SMILESCN(CC(=O)NC1CC1)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H17Cl2N3O3/c1-20(8-13(21)19-10-3-4-10)14(22)7-18-15(23)9-2-5-11(16)12(17)6-9/h2,5-6,10H,3-4,7-8H2,1H3,(H,18,23)(H,19,21)
InChIKeyONHYAOULSJOPDN-UHFFFAOYSA-N
MW358.23 g/mol
LogP1.46
Rot. Bonds6

About 3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide

3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide (PubChem CID 86907623) has the molecular formula C15H17Cl2N3O3 and a molecular weight of 358.23 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
PubChem CID86907623
Molecular FormulaC15H17Cl2N3O3
Molecular Weight358.23 g/mol
Exact Mass357.06
IUPAC Name3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
SMILESCN(CC(=O)NC1CC1)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H17Cl2N3O3/c1-20(8-13(21)19-10-3-4-10)14(22)7-18-15(23)9-2-5-11(16)12(17)6-9/h2,5-6,10H,3-4,7-8H2,1H3,(H,18,23)(H,19,21)
InChIKeyONHYAOULSJOPDN-UHFFFAOYSA-N
XLogP1.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3,4-dichloroanilino)-N-methylacetamide
CID 24510584
N-cyclopropyl-2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]acetamide
CID 62037469
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 27666006
N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119653613
N-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 55347418
N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 31374778
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119658374
3,4-dichloro-N-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-methylamino]-2-oxoethyl]benzamide
CID 102554677
3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide
CID 86908282
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide
CID 61042272
3,4-dichloro-N-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide
CID 8950479

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide (CID 86907623) is 3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide is CN(CC(=O)NC1CC1)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide?
The InChIKey is ONHYAOULSJOPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O3/c1-20(8-13(21)19-10-3-4-10)14(22)7-18-15(23)9-2-5-11(16)12(17)6-9/h2,5-6,10H,3-4,7-8H2,1H3,(H,18,23)(H,19,21).
What are the key properties of 3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide?
3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide has a molecular weight of 358.23 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 86907623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).