2-acetamido-N-[(2-chlorophenyl)methyl]-N'-(4-methoxyphenyl)propanediamide

C19H20ClN3O4 — CID 3765655

IUPAC2-acetamido-N-[(2-chlorophenyl)methyl]-N'-(4-methoxyphenyl)propanediamide
SMILESCOc1ccc(NC(=O)C(NC(C)=O)C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C19H20ClN3O4/c1-12(24)22-17(18(25)21-11-13-5-3-4-6-16(13)20)19(26)23-14-7-9-15(27-2)10-8-14/h3-10,17H,11H2,1-2H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyTXOFVFQMFYRMNE-UHFFFAOYSA-N
MW389.84 g/mol
LogP2.11
Rot. Bonds7

About 2-acetamido-N-[(2-chlorophenyl)methyl]-N'-(4-methoxyphenyl)propanediamide

2-acetamido-N-[(2-chlorophenyl)methyl]-N'-(4-methoxyphenyl)propanediamide (PubChem CID 3765655) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is 2-acetamido-N-[(2-chlorophenyl)methyl]-N'-(4-methoxyphenyl)propanediamide.

Molecular Properties

Compound Name2-acetamido-N-[(2-chlorophenyl)methyl]-N'-(4-methoxyphenyl)propanediamide
PubChem CID3765655
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Name2-acetamido-N-[(2-chlorophenyl)methyl]-N'-(4-methoxyphenyl)propanediamide
SMILESCOc1ccc(NC(=O)C(NC(C)=O)C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C19H20ClN3O4/c1-12(24)22-17(18(25)21-11-13-5-3-4-6-16(13)20)19(26)23-14-7-9-15(27-2)10-8-14/h3-10,17H,11H2,1-2H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyTXOFVFQMFYRMNE-UHFFFAOYSA-N
XLogP2.11
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(2-chlorophenyl)methyl]-N'-(4-methoxyphenyl)propanediamide?
The IUPAC name of 2-acetamido-N-[(2-chlorophenyl)methyl]-N'-(4-methoxyphenyl)propanediamide (CID 3765655) is 2-acetamido-N-[(2-chlorophenyl)methyl]-N'-(4-methoxyphenyl)propanediamide.
What is the SMILES notation for 2-acetamido-N-[(2-chlorophenyl)methyl]-N'-(4-methoxyphenyl)propanediamide?
The canonical SMILES for 2-acetamido-N-[(2-chlorophenyl)methyl]-N'-(4-methoxyphenyl)propanediamide is COc1ccc(NC(=O)C(NC(C)=O)C(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of 2-acetamido-N-[(2-chlorophenyl)methyl]-N'-(4-methoxyphenyl)propanediamide?
The InChIKey is TXOFVFQMFYRMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-12(24)22-17(18(25)21-11-13-5-3-4-6-16(13)20)19(26)23-14-7-9-15(27-2)10-8-14/h3-10,17H,11H2,1-2H3,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of 2-acetamido-N-[(2-chlorophenyl)methyl]-N'-(4-methoxyphenyl)propanediamide?
2-acetamido-N-[(2-chlorophenyl)methyl]-N'-(4-methoxyphenyl)propanediamide has a molecular weight of 389.84 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(2-chlorophenyl)methyl]-N'-(4-methoxyphenyl)propanediamide is sourced from PubChem (CID 3765655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).