2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpentanamide;hydrochloride

C14H20Cl3N3O2 — CID 119683827

IUPAC2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C14H19Cl2N3O2.ClH/c1-3-6-14(2,17)13(21)18-8-12(20)19-11-7-9(15)4-5-10(11)16;/h4-5,7H,3,6,8,17H2,1-2H3,(H,18,21)(H,19,20);1H
InChIKeyQHVUCTUHRYUJNH-UHFFFAOYSA-N
MW368.69 g/mol
LogP2.99
Rot. Bonds6

About 2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpentanamide;hydrochloride

2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpentanamide;hydrochloride (PubChem CID 119683827) has the molecular formula C14H20Cl3N3O2 and a molecular weight of 368.69 g/mol. Its IUPAC name is 2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpentanamide;hydrochloride
PubChem CID119683827
Molecular FormulaC14H20Cl3N3O2
Molecular Weight368.69 g/mol
Exact Mass367.06
IUPAC Name2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl.Cl
InChIInChI=1S/C14H19Cl2N3O2.ClH/c1-3-6-14(2,17)13(21)18-8-12(20)19-11-7-9(15)4-5-10(11)16;/h4-5,7H,3,6,8,17H2,1-2H3,(H,18,21)(H,19,20);1H
InChIKeyQHVUCTUHRYUJNH-UHFFFAOYSA-N
XLogP2.99
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.69
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride
CID 119707643
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
CID 47097183
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-ethylbutanamide
CID 47097189
1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119683786
(2S)-2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 119268231
2-[(2-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 60847700
N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide
CID 4629651
2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpentanamide
CID 119758108
2-amino-N-(2-chloro-5-nitrophenyl)-2-methylpentanamide
CID 60846513
2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylpentanamide
CID 119762109
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride
CID 119683791
N-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)acetamide
CID 54813314

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpentanamide;hydrochloride (CID 119683827) is 2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpentanamide;hydrochloride?
The InChIKey is QHVUCTUHRYUJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O2.ClH/c1-3-6-14(2,17)13(21)18-8-12(20)19-11-7-9(15)4-5-10(11)16;/h4-5,7H,3,6,8,17H2,1-2H3,(H,18,21)(H,19,20);1H.
What are the key properties of 2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpentanamide;hydrochloride?
2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpentanamide;hydrochloride has a molecular weight of 368.69 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119683827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).