2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide

C15H20Cl2N2O3 — CID 111483370

IUPAC2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide
SMILESCCC(O)(CC)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O3/c1-3-15(22,4-2)9-19-13(20)8-18-14(21)11-6-5-10(16)7-12(11)17/h5-7,22H,3-4,8-9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyPVKYBVIVEAFGOA-UHFFFAOYSA-N
MW347.24 g/mol
LogP2.39
Rot. Bonds7

About 2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide (PubChem CID 111483370) has the molecular formula C15H20Cl2N2O3 and a molecular weight of 347.24 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide
PubChem CID111483370
Molecular FormulaC15H20Cl2N2O3
Molecular Weight347.24 g/mol
Exact Mass346.09
IUPAC Name2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide
SMILESCCC(O)(CC)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O3/c1-3-15(22,4-2)9-19-13(20)8-18-14(21)11-6-5-10(16)7-12(11)17/h5-7,22H,3-4,8-9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyPVKYBVIVEAFGOA-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 36930188
2,4-dichloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65109953
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide
CID 111483229
2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 115429513
2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843867
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 9413593
2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291543
N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3,5-difluorobenzamide
CID 111483465
2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387806
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 55399586
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843801

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide (CID 111483370) is 2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide is CCC(O)(CC)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide?
The InChIKey is PVKYBVIVEAFGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3/c1-3-15(22,4-2)9-19-13(20)8-18-14(21)11-6-5-10(16)7-12(11)17/h5-7,22H,3-4,8-9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide has a molecular weight of 347.24 g/mol, XLogP of 2.39, 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-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 111483370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).