2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide

C18H25Cl2N3O2 — CID 9198274

IUPAC2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H25Cl2N3O2/c1-12-5-3-4-6-16(12)22-18(25)11-23(2)10-17(24)21-13-7-8-14(19)15(20)9-13/h7-9,12,16H,3-6,10-11H2,1-2H3,(H,21,24)(H,22,25)/t12-,16-/m0/s1
InChIKeyFHLSOTNRMRTPAJ-LRDDRELGSA-N
MW386.32 g/mol
LogP3.56
Rot. Bonds6

About 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide

2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide (PubChem CID 9198274) has the molecular formula C18H25Cl2N3O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
PubChem CID9198274
Molecular FormulaC18H25Cl2N3O2
Molecular Weight386.32 g/mol
Exact Mass385.13
IUPAC Name2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H25Cl2N3O2/c1-12-5-3-4-6-16(12)22-18(25)11-23(2)10-17(24)21-13-7-8-14(19)15(20)9-13/h7-9,12,16H,3-6,10-11H2,1-2H3,(H,21,24)(H,22,25)/t12-,16-/m0/s1
InChIKeyFHLSOTNRMRTPAJ-LRDDRELGSA-N
XLogP3.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide with MolForge

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Related Compounds

2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9167461
N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 31374778
[2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 9198266
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9222495
1-(3,4-dichlorophenyl)-3-(2-methylcyclohexyl)thiourea
CID 19652564
N-[(1S,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 11939314
N-[(1S,2R)-2-methylcyclohexyl]-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]acetamide
CID 100900329
2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide
CID 42915427
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11938604
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 9287235
2-[methyl-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]amino]-N-(4-methylphenyl)acetamide
CID 8742483
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9250651

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide (CID 9198274) is 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide is C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The InChIKey is FHLSOTNRMRTPAJ-LRDDRELGSA-N. The full InChI is InChI=1S/C18H25Cl2N3O2/c1-12-5-3-4-6-16(12)22-18(25)11-23(2)10-17(24)21-13-7-8-14(19)15(20)9-13/h7-9,12,16H,3-6,10-11H2,1-2H3,(H,21,24)(H,22,25)/t12-,16-/m0/s1.
What are the key properties of 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 386.32 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 9198274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).