4-chloro-3-[(2-methoxyacetyl)amino]-N-(2-phenylethyl)benzamide

C18H19ClN2O3 — CID 1228444

IUPAC4-chloro-3-[(2-methoxyacetyl)amino]-N-(2-phenylethyl)benzamide
SMILESCOCC(=O)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-24-12-17(22)21-16-11-14(7-8-15(16)19)18(23)20-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyHVFOXGDJXYEPLP-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.90
Rot. Bonds7

About 4-chloro-3-[(2-methoxyacetyl)amino]-N-(2-phenylethyl)benzamide

4-chloro-3-[(2-methoxyacetyl)amino]-N-(2-phenylethyl)benzamide (PubChem CID 1228444) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-chloro-3-[(2-methoxyacetyl)amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2-methoxyacetyl)amino]-N-(2-phenylethyl)benzamide
PubChem CID1228444
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name4-chloro-3-[(2-methoxyacetyl)amino]-N-(2-phenylethyl)benzamide
SMILESCOCC(=O)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-24-12-17(22)21-16-11-14(7-8-15(16)19)18(23)20-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyHVFOXGDJXYEPLP-UHFFFAOYSA-N
XLogP2.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-methoxyacetyl)amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-chloro-3-[(2-methoxyacetyl)amino]-N-(2-phenylethyl)benzamide (CID 1228444) is 4-chloro-3-[(2-methoxyacetyl)amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(2-methoxyacetyl)amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-chloro-3-[(2-methoxyacetyl)amino]-N-(2-phenylethyl)benzamide is COCC(=O)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(2-methoxyacetyl)amino]-N-(2-phenylethyl)benzamide?
The InChIKey is HVFOXGDJXYEPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-24-12-17(22)21-16-11-14(7-8-15(16)19)18(23)20-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-chloro-3-[(2-methoxyacetyl)amino]-N-(2-phenylethyl)benzamide?
4-chloro-3-[(2-methoxyacetyl)amino]-N-(2-phenylethyl)benzamide has a molecular weight of 346.81 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-methoxyacetyl)amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 1228444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).