2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide

C15H20Cl2N2O3 — CID 78783255

IUPAC2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCO
InChIInChI=1S/C15H20Cl2N2O3/c1-9(2)7-13(15(22)18-5-6-20)19-14(21)11-4-3-10(16)8-12(11)17/h3-4,8-9,13,20H,5-7H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyUSUNGNAVJYPSOA-UHFFFAOYSA-N
MW347.24 g/mol
LogP2.25
Rot. Bonds7

About 2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide

2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 78783255) has the molecular formula C15H20Cl2N2O3 and a molecular weight of 347.24 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
PubChem CID78783255
Molecular FormulaC15H20Cl2N2O3
Molecular Weight347.24 g/mol
Exact Mass346.09
IUPAC Name2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCO
InChIInChI=1S/C15H20Cl2N2O3/c1-9(2)7-13(15(22)18-5-6-20)19-14(21)11-4-3-10(16)8-12(11)17/h3-4,8-9,13,20H,5-7H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyUSUNGNAVJYPSOA-UHFFFAOYSA-N
XLogP2.25
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[(2S)-1-(3-hydroxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 98001708
2,4-dichloro-N-[1-[(2-chlorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 18270630
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 40804285
2,4-dichloro-N-[1-[(4-fluorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 42987197
2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980
2,4-dichloro-N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52990853
2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 18205011
2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 60602985
2,4-dichloro-N-[1-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 55328495
2,4-dichloro-N-[(2R)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl]benzamide
CID 30478968
2,4-dichloro-N-[4-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]pentan-2-yl]benzamide
CID 43006168
[2-oxo-2-(prop-2-ynylamino)ethyl] (2R)-2-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoate
CID 8847062

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide (CID 78783255) is 2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide is CC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCO.
What is the InChIKey of 2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is USUNGNAVJYPSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3/c1-9(2)7-13(15(22)18-5-6-20)19-14(21)11-4-3-10(16)8-12(11)17/h3-4,8-9,13,20H,5-7H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide?
2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 347.24 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 78783255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).