[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium

C17H25Cl2N2O+ — CID 11939478

IUPAC[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium
SMILESC[C@H]1[C@@H]([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CCC[C@@H]1C
InChIInChI=1S/C17H24Cl2N2O/c1-10-5-4-6-15(11(10)2)20-12(3)17(22)21-16-9-13(18)7-8-14(16)19/h7-12,15,20H,4-6H2,1-3H3,(H,21,22)/p+1/t10-,11+,12-,15-/m0/s1
InChIKeyDFNREUPVWTUHPH-OXIQGZBJSA-O
MW344.31 g/mol
LogP3.71
Rot. Bonds4

About [(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium

[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium (PubChem CID 11939478) has the molecular formula C17H25Cl2N2O+ and a molecular weight of 344.31 g/mol. Its IUPAC name is [(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium
PubChem CID11939478
Molecular FormulaC17H25Cl2N2O+
Molecular Weight344.31 g/mol
Exact Mass343.13
IUPAC Name[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium
SMILESC[C@H]1[C@@H]([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CCC[C@@H]1C
InChIInChI=1S/C17H24Cl2N2O/c1-10-5-4-6-15(11(10)2)20-12(3)17(22)21-16-9-13(18)7-8-14(16)19/h7-12,15,20H,4-6H2,1-3H3,(H,21,22)/p+1/t10-,11+,12-,15-/m0/s1
InChIKeyDFNREUPVWTUHPH-OXIQGZBJSA-O
XLogP3.71
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium with MolForge

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Related Compounds

[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(1R,2R,3S)-2,3-dimethylcyclohexyl]azanium
CID 11939482
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S,2R,3R)-2,3-dimethylcyclohexyl]azanium
CID 11946760
[(2R)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl]-[(1R,2S,3S)-2,3-dimethylcyclohexyl]azanium
CID 11923111
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]-[(1R,2S,3S)-2,3-dimethylcyclohexyl]azanium
CID 11923109
[(2S)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]-[(1R,2S,3S)-2,3-dimethylcyclohexyl]azanium
CID 11923113
(2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 2690347
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435
[(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl]-cyclooctylazanium
CID 9444240
[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl]-cyclooctylazanium
CID 9444244
(2R)-N-(2,5-dichlorophenyl)-2-methyl-3-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]propanamide
CID 7454797
2,5-dichloro-N-(2,6-dimethylcyclohexyl)aniline
CID 43097322
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium?
The IUPAC name of [(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium (CID 11939478) is [(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium.
What is the SMILES notation for [(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium?
The canonical SMILES for [(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium is C[C@H]1[C@@H]([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CCC[C@@H]1C.
What is the InChIKey of [(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium?
The InChIKey is DFNREUPVWTUHPH-OXIQGZBJSA-O. The full InChI is InChI=1S/C17H24Cl2N2O/c1-10-5-4-6-15(11(10)2)20-12(3)17(22)21-16-9-13(18)7-8-14(16)19/h7-12,15,20H,4-6H2,1-3H3,(H,21,22)/p+1/t10-,11+,12-,15-/m0/s1.
What are the key properties of [(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium?
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium has a molecular weight of 344.31 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium is sourced from PubChem (CID 11939478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).