5-chloro-2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide

C17H23ClN2O3 — CID 11939659

IUPAC5-chloro-2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)COc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C17H23ClN2O3/c1-10-4-3-5-14(11(10)2)20-16(21)9-23-15-7-6-12(18)8-13(15)17(19)22/h6-8,10-11,14H,3-5,9H2,1-2H3,(H2,19,22)(H,20,21)/t10-,11+,14+/m0/s1
InChIKeyZALLFPLKHJUAJP-MISXGVKJSA-N
MW338.84 g/mol
LogP2.76
Rot. Bonds5

About 5-chloro-2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide

5-chloro-2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide (PubChem CID 11939659) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 5-chloro-2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name5-chloro-2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide
PubChem CID11939659
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name5-chloro-2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)COc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C17H23ClN2O3/c1-10-4-3-5-14(11(10)2)20-16(21)9-23-15-7-6-12(18)8-13(15)17(19)22/h6-8,10-11,14H,3-5,9H2,1-2H3,(H2,19,22)(H,20,21)/t10-,11+,14+/m0/s1
InChIKeyZALLFPLKHJUAJP-MISXGVKJSA-N
XLogP2.76
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide
CID 9362464
2-(2-bromo-4-chlorophenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11919791
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2435807
2-(4-chloro-2-nitrophenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11920384
[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 11930384
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 7500153
2-(3,5-dichlorophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11906049
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 11917062
2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethoxy]benzamide
CID 11921212
2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11914731
2-(2,3-dichlorophenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11915896
2-(2-chloro-4-nitrophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11907226

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide?
The IUPAC name of 5-chloro-2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide (CID 11939659) is 5-chloro-2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 5-chloro-2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 5-chloro-2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide is C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)COc1ccc(Cl)cc1C(N)=O.
What is the InChIKey of 5-chloro-2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide?
The InChIKey is ZALLFPLKHJUAJP-MISXGVKJSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-10-4-3-5-14(11(10)2)20-16(21)9-23-15-7-6-12(18)8-13(15)17(19)22/h6-8,10-11,14H,3-5,9H2,1-2H3,(H2,19,22)(H,20,21)/t10-,11+,14+/m0/s1.
What are the key properties of 5-chloro-2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide?
5-chloro-2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide has a molecular weight of 338.84 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 11939659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).