2-[2-(2-chlorophenoxy)butanoylamino]benzamide

C17H17ClN2O3 — CID 53284900

IUPAC2-[2-(2-chlorophenoxy)butanoylamino]benzamide
SMILESCCC(Oc1ccccc1Cl)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C17H17ClN2O3/c1-2-14(23-15-10-6-4-8-12(15)18)17(22)20-13-9-5-3-7-11(13)16(19)21/h3-10,14H,2H2,1H3,(H2,19,21)(H,20,22)
InChIKeyUXBDGFOZSVBEFN-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.23
Rot. Bonds6

About 2-[2-(2-chlorophenoxy)butanoylamino]benzamide

2-[2-(2-chlorophenoxy)butanoylamino]benzamide (PubChem CID 53284900) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-[2-(2-chlorophenoxy)butanoylamino]benzamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenoxy)butanoylamino]benzamide
PubChem CID53284900
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name2-[2-(2-chlorophenoxy)butanoylamino]benzamide
SMILESCCC(Oc1ccccc1Cl)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C17H17ClN2O3/c1-2-14(23-15-10-6-4-8-12(15)18)17(22)20-13-9-5-3-7-11(13)16(19)21/h3-10,14H,2H2,1H3,(H2,19,21)(H,20,22)
InChIKeyUXBDGFOZSVBEFN-UHFFFAOYSA-N
XLogP3.23
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide
CID 99132395
2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide
CID 53284462
2-(2-chlorophenoxy)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53284308
2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
CID 898266
N-butyl-2-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]benzamide
CID 38008825
methyl 3-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]-2-methylbenzoate
CID 92677984
(2R)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573433
(2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573436
2-[2-(4-fluorophenoxy)butanoylamino]benzamide
CID 43906030
2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 94020116
2-[2-(2,5-dimethylphenoxy)butanoylamino]benzamide
CID 46772808
(2S)-N-(2,3-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 9173593

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenoxy)butanoylamino]benzamide?
The IUPAC name of 2-[2-(2-chlorophenoxy)butanoylamino]benzamide (CID 53284900) is 2-[2-(2-chlorophenoxy)butanoylamino]benzamide.
What is the SMILES notation for 2-[2-(2-chlorophenoxy)butanoylamino]benzamide?
The canonical SMILES for 2-[2-(2-chlorophenoxy)butanoylamino]benzamide is CCC(Oc1ccccc1Cl)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-(2-chlorophenoxy)butanoylamino]benzamide?
The InChIKey is UXBDGFOZSVBEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-2-14(23-15-10-6-4-8-12(15)18)17(22)20-13-9-5-3-7-11(13)16(19)21/h3-10,14H,2H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 2-[2-(2-chlorophenoxy)butanoylamino]benzamide?
2-[2-(2-chlorophenoxy)butanoylamino]benzamide has a molecular weight of 332.79 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenoxy)butanoylamino]benzamide is sourced from PubChem (CID 53284900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).