2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide

C19H27Cl2N3O2 — CID 11938604

IUPAC2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)CN(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H27Cl2N3O2/c1-12-6-4-9-16(13(12)2)22-17(25)10-24(3)11-18(26)23-19-14(20)7-5-8-15(19)21/h5,7-8,12-13,16H,4,6,9-11H2,1-3H3,(H,22,25)(H,23,26)/t12-,13-,16+/m1/s1
InChIKeyXLFAAFRPYYNEII-IOASZLSFSA-N
MW400.35 g/mol
LogP3.80
Rot. Bonds6

About 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide

2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide (PubChem CID 11938604) has the molecular formula C19H27Cl2N3O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
PubChem CID11938604
Molecular FormulaC19H27Cl2N3O2
Molecular Weight400.35 g/mol
Exact Mass399.15
IUPAC Name2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)CN(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H27Cl2N3O2/c1-12-6-4-9-16(13(12)2)22-17(25)10-24(3)11-18(26)23-19-14(20)7-5-8-15(19)21/h5,7-8,12-13,16H,4,6,9-11H2,1-3H3,(H,22,25)(H,23,26)/t12-,13-,16+/m1/s1
InChIKeyXLFAAFRPYYNEII-IOASZLSFSA-N
XLogP3.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide with MolForge

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Related Compounds

2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 9287235
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 129419826
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11935793
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylazanium
CID 11938603
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 98620369
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9250651
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 11929471
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11929339
N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 11934719
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 8709179
N-(cyclohexylmethyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287227
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9167461

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
The IUPAC name of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide (CID 11938604) is 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide.
What is the SMILES notation for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
The canonical SMILES for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide is C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)CN(C)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
The InChIKey is XLFAAFRPYYNEII-IOASZLSFSA-N. The full InChI is InChI=1S/C19H27Cl2N3O2/c1-12-6-4-9-16(13(12)2)22-17(25)10-24(3)11-18(26)23-19-14(20)7-5-8-15(19)21/h5,7-8,12-13,16H,4,6,9-11H2,1-3H3,(H,22,25)(H,23,26)/t12-,13-,16+/m1/s1.
What are the key properties of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide has a molecular weight of 400.35 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide is sourced from PubChem (CID 11938604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).