2-chloro-N-[1-[(3-ethyl-2-hydroxypentyl)amino]-1-oxopropan-2-yl]benzamide

C17H25ClN2O3 — CID 111115939

IUPAC2-chloro-N-[1-[(3-ethyl-2-hydroxypentyl)amino]-1-oxopropan-2-yl]benzamide
SMILESCCC(CC)C(O)CNC(=O)C(C)NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H25ClN2O3/c1-4-12(5-2)15(21)10-19-16(22)11(3)20-17(23)13-8-6-7-9-14(13)18/h6-9,11-12,15,21H,4-5,10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyYVGRSMUXHMXSSF-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.37
Rot. Bonds8

About 2-chloro-N-[1-[(3-ethyl-2-hydroxypentyl)amino]-1-oxopropan-2-yl]benzamide

2-chloro-N-[1-[(3-ethyl-2-hydroxypentyl)amino]-1-oxopropan-2-yl]benzamide (PubChem CID 111115939) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 2-chloro-N-[1-[(3-ethyl-2-hydroxypentyl)amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(3-ethyl-2-hydroxypentyl)amino]-1-oxopropan-2-yl]benzamide
PubChem CID111115939
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name2-chloro-N-[1-[(3-ethyl-2-hydroxypentyl)amino]-1-oxopropan-2-yl]benzamide
SMILESCCC(CC)C(O)CNC(=O)C(C)NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H25ClN2O3/c1-4-12(5-2)15(21)10-19-16(22)11(3)20-17(23)13-8-6-7-9-14(13)18/h6-9,11-12,15,21H,4-5,10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyYVGRSMUXHMXSSF-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-[[(2S)-3-ethyl-2-hydroxypentyl]amino]-2-oxoethyl]benzamide
CID 95622425
2-chloro-N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
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2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 2712046
2-chloro-N-[(2R)-1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]benzamide
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3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-nitrobenzamide
CID 103739426
2-chloro-N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 2712751
2-chloro-N-[(2S)-1-[2-(4-chlorophenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 40718205
2-chloro-N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]benzamide
CID 9164025
2-chloro-N-[3-oxo-3-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propyl]benzamide
CID 8733244
2-chloro-N-[3-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzamide
CID 8750671
2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 8935295
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 42908748

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(3-ethyl-2-hydroxypentyl)amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[(3-ethyl-2-hydroxypentyl)amino]-1-oxopropan-2-yl]benzamide (CID 111115939) is 2-chloro-N-[1-[(3-ethyl-2-hydroxypentyl)amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[(3-ethyl-2-hydroxypentyl)amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[(3-ethyl-2-hydroxypentyl)amino]-1-oxopropan-2-yl]benzamide is CCC(CC)C(O)CNC(=O)C(C)NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-[(3-ethyl-2-hydroxypentyl)amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is YVGRSMUXHMXSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-4-12(5-2)15(21)10-19-16(22)11(3)20-17(23)13-8-6-7-9-14(13)18/h6-9,11-12,15,21H,4-5,10H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 2-chloro-N-[1-[(3-ethyl-2-hydroxypentyl)amino]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[1-[(3-ethyl-2-hydroxypentyl)amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 340.85 g/mol, XLogP of 2.37, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(3-ethyl-2-hydroxypentyl)amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 111115939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).