4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride

C15H22Cl3N3O2 — CID 120559498

IUPAC4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCC(C)N.Cl
InChIInChI=1S/C15H21Cl2N3O2.ClH/c1-3-20(14(22)8-7-10(2)18)9-13(21)19-15-11(16)5-4-6-12(15)17;/h4-6,10H,3,7-9,18H2,1-2H3,(H,19,21);1H
InChIKeyITTXDPPPPGHJHZ-UHFFFAOYSA-N
MW382.72 g/mol
LogP3.33
Rot. Bonds7

About 4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride

4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride (PubChem CID 120559498) has the molecular formula C15H22Cl3N3O2 and a molecular weight of 382.72 g/mol. Its IUPAC name is 4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride
PubChem CID120559498
Molecular FormulaC15H22Cl3N3O2
Molecular Weight382.72 g/mol
Exact Mass381.08
IUPAC Name4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCC(C)N.Cl
InChIInChI=1S/C15H21Cl2N3O2.ClH/c1-3-20(14(22)8-7-10(2)18)9-13(21)19-15-11(16)5-4-6-12(15)17;/h4-6,10H,3,7-9,18H2,1-2H3,(H,19,21);1H
InChIKeyITTXDPPPPGHJHZ-UHFFFAOYSA-N
XLogP3.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.72
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-methylsulfonylpropanamide
CID 134034709
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide
CID 25313719
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide
CID 31713224
2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
CID 25314063
4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
CID 120559009
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide
CID 31713240
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide
CID 42576438
2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
CID 51269887
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 25315753
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 24553205
N-(2-chloro-6-methylphenyl)-2-[di(propan-2-yl)amino]acetamide;hydrochloride
CID 138402190

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride (CID 120559498) is 4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCC(C)N.Cl.
What is the InChIKey of 4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride?
The InChIKey is ITTXDPPPPGHJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O2.ClH/c1-3-20(14(22)8-7-10(2)18)9-13(21)19-15-11(16)5-4-6-12(15)17;/h4-6,10H,3,7-9,18H2,1-2H3,(H,19,21);1H.
What are the key properties of 4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride?
4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride has a molecular weight of 382.72 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride is sourced from PubChem (CID 120559498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).