4-chloro-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide

C13H17ClN2O3 — CID 112604455

IUPAC4-chloro-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide
SMILESCC(C)(C)OCC(=O)Nc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-13(2,3)19-7-11(17)16-10-6-8(12(15)18)4-5-9(10)14/h4-6H,7H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyLMAZUYOGPSSUFG-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.19
Rot. Bonds4

About 4-chloro-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide

4-chloro-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide (PubChem CID 112604455) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 4-chloro-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-chloro-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide
PubChem CID112604455
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name4-chloro-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide
SMILESCC(C)(C)OCC(=O)Nc1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-13(2,3)19-7-11(17)16-10-6-8(12(15)18)4-5-9(10)14/h4-6H,7H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyLMAZUYOGPSSUFG-UHFFFAOYSA-N
XLogP2.19
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950284
N-[2-chloro-5-(methanesulfonamido)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949812
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949550
4-chloro-3-[[2-(4-chlorophenyl)acetyl]amino]benzamide
CID 50875886
4-chloro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide
CID 63875333
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-chlorobenzamide
CID 61154980
N-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604535
3-(carbamothioylamino)-4-chlorobenzamide
CID 86665570
N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604822
4-chloro-3-[(2-propoxyacetyl)amino]benzoic acid
CID 114018149
N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604948
3-[[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]acetyl]amino]-4-chlorobenzoic acid
CID 103242980

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide?
The IUPAC name of 4-chloro-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide (CID 112604455) is 4-chloro-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide.
What is the SMILES notation for 4-chloro-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide?
The canonical SMILES for 4-chloro-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide is CC(C)(C)OCC(=O)Nc1cc(C(N)=O)ccc1Cl.
What is the InChIKey of 4-chloro-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide?
The InChIKey is LMAZUYOGPSSUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-13(2,3)19-7-11(17)16-10-6-8(12(15)18)4-5-9(10)14/h4-6H,7H2,1-3H3,(H2,15,18)(H,16,17).
What are the key properties of 4-chloro-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide?
4-chloro-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide has a molecular weight of 284.74 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide is sourced from PubChem (CID 112604455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).