N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride

C13H18Cl3N3O2 — CID 119683791

IUPACN-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C13H17Cl2N3O2.ClH/c1-16-6-2-3-12(19)17-8-13(20)18-11-7-9(14)4-5-10(11)15;/h4-5,7,16H,2-3,6,8H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyHQAUWYCVCUZWOE-UHFFFAOYSA-N
MW354.67 g/mol
LogP2.47
Rot. Bonds7

About N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119683791) has the molecular formula C13H18Cl3N3O2 and a molecular weight of 354.67 g/mol. Its IUPAC name is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119683791
Molecular FormulaC13H18Cl3N3O2
Molecular Weight354.67 g/mol
Exact Mass353.05
IUPAC NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C13H17Cl2N3O2.ClH/c1-16-6-2-3-12(19)17-8-13(20)18-11-7-9(14)4-5-10(11)15;/h4-5,7,16H,2-3,6,8H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyHQAUWYCVCUZWOE-UHFFFAOYSA-N
XLogP2.47
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.67
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-methylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119705332
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide
CID 112997994
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
CID 47097183
4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide
CID 119714153
4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride
CID 119712093
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 8502071
4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 9439469
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
N-(5-chloro-2-propan-2-ylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119776592
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2449630
N-(2,5-dichlorophenyl)heptanamide
CID 3294645

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride (CID 119683791) is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl.Cl.
What is the InChIKey of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is HQAUWYCVCUZWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2.ClH/c1-16-6-2-3-12(19)17-8-13(20)18-11-7-9(14)4-5-10(11)15;/h4-5,7,16H,2-3,6,8H2,1H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride?
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 354.67 g/mol, XLogP of 2.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119683791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).