2-[(2-chlorophenyl)methyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide

C20H23ClN2O2 — CID 4845263

IUPAC2-[(2-chlorophenyl)methyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
SMILESCC(=O)C(Cc1ccccc1)NC(=O)CN(C)Cc1ccccc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-15(24)19(12-16-8-4-3-5-9-16)22-20(25)14-23(2)13-17-10-6-7-11-18(17)21/h3-11,19H,12-14H2,1-2H3,(H,22,25)
InChIKeyKLRVGVCCDRCDHF-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.09
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide

2-[(2-chlorophenyl)methyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide (PubChem CID 4845263) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
PubChem CID4845263
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-[(2-chlorophenyl)methyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
SMILESCC(=O)C(Cc1ccccc1)NC(=O)CN(C)Cc1ccccc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-15(24)19(12-16-8-4-3-5-9-16)22-20(25)14-23(2)13-17-10-6-7-11-18(17)21/h3-11,19H,12-14H2,1-2H3,(H,22,25)
InChIKeyKLRVGVCCDRCDHF-UHFFFAOYSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide (CID 4845263) is 2-[(2-chlorophenyl)methyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide is CC(=O)C(Cc1ccccc1)NC(=O)CN(C)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide?
The InChIKey is KLRVGVCCDRCDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-15(24)19(12-16-8-4-3-5-9-16)22-20(25)14-23(2)13-17-10-6-7-11-18(17)21/h3-11,19H,12-14H2,1-2H3,(H,22,25).
What are the key properties of 2-[(2-chlorophenyl)methyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide?
2-[(2-chlorophenyl)methyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide has a molecular weight of 358.87 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 4845263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).