2-chloro-N-[(2R)-1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]benzamide

C17H25ClN2O3 — CID 99779705

IUPAC2-chloro-N-[(2R)-1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(C)COCCCNC(=O)[C@@H](C)NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H25ClN2O3/c1-12(2)11-23-10-6-9-19-16(21)13(3)20-17(22)14-7-4-5-8-15(14)18/h4-5,7-8,12-13H,6,9-11H2,1-3H3,(H,19,21)(H,20,22)/t13-/m1/s1
InChIKeyGYYOKYCYCQTSQE-CYBMUJFWSA-N
MW340.85 g/mol
LogP2.64
Rot. Bonds9

About 2-chloro-N-[(2R)-1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]benzamide

2-chloro-N-[(2R)-1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 99779705) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]benzamide
PubChem CID99779705
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name2-chloro-N-[(2R)-1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(C)COCCCNC(=O)[C@@H](C)NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H25ClN2O3/c1-12(2)11-23-10-6-9-19-16(21)13(3)20-17(22)14-7-4-5-8-15(14)18/h4-5,7-8,12-13H,6,9-11H2,1-3H3,(H,19,21)(H,20,22)/t13-/m1/s1
InChIKeyGYYOKYCYCQTSQE-CYBMUJFWSA-N
XLogP2.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2S)-1-[2-(4-chlorophenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 40718205
2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 8935295
N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51339268
2-chloro-N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18161250
5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55865383
2-chloro-N-[1-[(3-ethyl-2-hydroxypentyl)amino]-1-oxopropan-2-yl]benzamide
CID 111115939
4-methylpentyl 2-[(2-chlorobenzoyl)amino]propanoate
CID 91716474
2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide
CID 134042472
N-[1-(3-ethoxypropylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 78785278
2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 2712046
2-chloro-N-[3-methyl-1-(4-methylpentylamino)-1-oxobutan-2-yl]benzamide
CID 46447854
2-chloro-N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 2712751

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2R)-1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]benzamide (CID 99779705) is 2-chloro-N-[(2R)-1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2R)-1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2R)-1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]benzamide is CC(C)COCCCNC(=O)[C@@H](C)NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(2R)-1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is GYYOKYCYCQTSQE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-12(2)11-23-10-6-9-19-16(21)13(3)20-17(22)14-7-4-5-8-15(14)18/h4-5,7-8,12-13H,6,9-11H2,1-3H3,(H,19,21)(H,20,22)/t13-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[(2R)-1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 340.85 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 99779705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).