2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)benzamide

C19H21ClN2O3 — CID 1331749

IUPAC2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)COc1ccccc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-13(2)11-21-19(24)14-7-3-5-9-16(14)22-18(23)12-25-17-10-6-4-8-15(17)20/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVSMPGTWQGIKVNY-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.74
Rot. Bonds7

About 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)benzamide

2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 1331749) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID1331749
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)COc1ccccc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-13(2)11-21-19(24)14-7-3-5-9-16(14)22-18(23)12-25-17-10-6-4-8-15(17)20/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVSMPGTWQGIKVNY-UHFFFAOYSA-N
XLogP3.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 18089922
N-(2-acetylphenyl)-2-(2-chlorophenoxy)acetamide
CID 2707164
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
2-[(2-ethoxybenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 37003750
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
CID 55318028
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598474
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 31124240
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60683064
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454637
2-[2-[(1S)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 78930426
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)benzamide (CID 1331749) is 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)COc1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is VSMPGTWQGIKVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-13(2)11-21-19(24)14-7-3-5-9-16(14)22-18(23)12-25-17-10-6-4-8-15(17)20/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)benzamide?
2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 360.84 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 1331749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).