2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide

C20H22Cl2N2O2 — CID 9039466

IUPAC2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)CN(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-14(25)18(11-15-7-4-3-5-8-15)23-19(26)13-24(2)12-16-9-6-10-17(21)20(16)22/h3-10,18H,11-13H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyUQCSVDFDHCBRKV-SFHVURJKSA-N
MW393.31 g/mol
LogP3.74
Rot. Bonds8

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

2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide (PubChem CID 9039466) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
PubChem CID9039466
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)CN(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-14(25)18(11-15-7-4-3-5-8-15)23-19(26)13-24(2)12-16-9-6-10-17(21)20(16)22/h3-10,18H,11-13H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyUQCSVDFDHCBRKV-SFHVURJKSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9197153
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 40881761
2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9054777
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9054230
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 4841837
2-[benzhydryl(methyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8730033
N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide
CID 9222696
N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide
CID 9222694
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 18279858
2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 94897721
2-[[2-[(2,3-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 9039473
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide
CID 24566255

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide (CID 9039466) is 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide is CC(=O)[C@H](Cc1ccccc1)NC(=O)CN(C)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
The InChIKey is UQCSVDFDHCBRKV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-14(25)18(11-15-7-4-3-5-8-15)23-19(26)13-24(2)12-16-9-6-10-17(21)20(16)22/h3-10,18H,11-13H2,1-2H3,(H,23,26)/t18-/m0/s1.
What are the key properties of 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide?
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide has a molecular weight of 393.31 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 9039466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).