2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-(2-methylpropanoylamino)benzamide

C17H25ClN2O3 — CID 111483491

IUPAC2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-(2-methylpropanoylamino)benzamide
SMILESCCC(O)(CC)CNC(=O)c1cc(NC(=O)C(C)C)ccc1Cl
InChIInChI=1S/C17H25ClN2O3/c1-5-17(23,6-2)10-19-16(22)13-9-12(7-8-14(13)18)20-15(21)11(3)4/h7-9,11,23H,5-6,10H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyUJIURTJUDROKJD-UHFFFAOYSA-N
MW340.85 g/mol
LogP3.22
Rot. Bonds7

About 2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-(2-methylpropanoylamino)benzamide

2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-(2-methylpropanoylamino)benzamide (PubChem CID 111483491) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-(2-methylpropanoylamino)benzamide
PubChem CID111483491
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-(2-methylpropanoylamino)benzamide
SMILESCCC(O)(CC)CNC(=O)c1cc(NC(=O)C(C)C)ccc1Cl
InChIInChI=1S/C17H25ClN2O3/c1-5-17(23,6-2)10-19-16(22)13-9-12(7-8-14(13)18)20-15(21)11(3)4/h7-9,11,23H,5-6,10H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyUJIURTJUDROKJD-UHFFFAOYSA-N
XLogP3.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119644007
N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119630765
N-[3-(aminomethyl)pentan-3-yl]-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119572129
2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide
CID 119504443
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide
CID 111459554
2-[[(5-acetamido-2-chlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 120533366
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride
CID 119609082
5-[[[2-chloro-5-(2-methylpropanoylamino)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226496
2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514843
N-(1-aminohexan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119668857
2-chloro-5-iodo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 1297056

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-(2-methylpropanoylamino)benzamide?
The IUPAC name of 2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-(2-methylpropanoylamino)benzamide (CID 111483491) is 2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for 2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-(2-methylpropanoylamino)benzamide?
The canonical SMILES for 2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-(2-methylpropanoylamino)benzamide is CCC(O)(CC)CNC(=O)c1cc(NC(=O)C(C)C)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-(2-methylpropanoylamino)benzamide?
The InChIKey is UJIURTJUDROKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-5-17(23,6-2)10-19-16(22)13-9-12(7-8-14(13)18)20-15(21)11(3)4/h7-9,11,23H,5-6,10H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of 2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-(2-methylpropanoylamino)benzamide?
2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-(2-methylpropanoylamino)benzamide has a molecular weight of 340.85 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 111483491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).