N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide

C20H23Cl2N3O2 — CID 9348587

IUPACN-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
SMILESC[C@@H](c1ccccc1)N(C)C(=O)CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H23Cl2N3O2/c1-14(15-7-5-4-6-8-15)25(3)20(27)13-24(2)12-19(26)23-16-9-10-17(21)18(22)11-16/h4-11,14H,12-13H2,1-3H3,(H,23,26)/t14-/m0/s1
InChIKeyFUVBCDSPWWPCQM-AWEZNQCLSA-N
MW408.33 g/mol
LogP4.08
Rot. Bonds7

About N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide

N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide (PubChem CID 9348587) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
PubChem CID9348587
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC NameN-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
SMILESC[C@@H](c1ccccc1)N(C)C(=O)CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H23Cl2N3O2/c1-14(15-7-5-4-6-8-15)25(3)20(27)13-24(2)12-19(26)23-16-9-10-17(21)18(22)11-16/h4-11,14H,12-13H2,1-3H3,(H,23,26)/t14-/m0/s1
InChIKeyFUVBCDSPWWPCQM-AWEZNQCLSA-N
XLogP4.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide with MolForge

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Related Compounds

2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 9347465
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9198212
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348198
N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 8555813
N-(3,4-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8709970
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60704303
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 9198233
N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348322
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
N-(3,4-dichlorophenyl)-2-[2-phenylethenylsulfonyl(1-phenylethyl)amino]acetamide
CID 5145745
2-[(2-chloro-5-hydroxyphenyl)methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 139020948
3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119682920

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide (CID 9348587) is N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide is C[C@@H](c1ccccc1)N(C)C(=O)CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide?
The InChIKey is FUVBCDSPWWPCQM-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2/c1-14(15-7-5-4-6-8-15)25(3)20(27)13-24(2)12-19(26)23-16-9-10-17(21)18(22)11-16/h4-11,14H,12-13H2,1-3H3,(H,23,26)/t14-/m0/s1.
What are the key properties of N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide?
N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide has a molecular weight of 408.33 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 9348587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).