(2R)-2-(2-chloro-4-cyanophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide

C18H23ClN2O2 — CID 11935435

IUPAC(2R)-2-(2-chloro-4-cyanophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1Cl
InChIInChI=1S/C18H23ClN2O2/c1-11-5-4-6-16(12(11)2)21-18(22)13(3)23-17-8-7-14(10-20)9-15(17)19/h7-9,11-13,16H,4-6H2,1-3H3,(H,21,22)/t11-,12-,13-,16-/m1/s1
InChIKeyAKBOIPMFQZOZTE-BRXULGCHSA-N
MW334.85 g/mol
LogP3.92
Rot. Bonds4

About (2R)-2-(2-chloro-4-cyanophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide

(2R)-2-(2-chloro-4-cyanophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide (PubChem CID 11935435) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is (2R)-2-(2-chloro-4-cyanophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chloro-4-cyanophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
PubChem CID11935435
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name(2R)-2-(2-chloro-4-cyanophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1Cl
InChIInChI=1S/C18H23ClN2O2/c1-11-5-4-6-16(12(11)2)21-18(22)13(3)23-17-8-7-14(10-20)9-15(17)19/h7-9,11-13,16H,4-6H2,1-3H3,(H,21,22)/t11-,12-,13-,16-/m1/s1
InChIKeyAKBOIPMFQZOZTE-BRXULGCHSA-N
XLogP3.92
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(2-chloro-4-cyanophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide with MolForge

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Related Compounds

(2R)-2-(3-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11929296
2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide
CID 60667353
[(2R)-1-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 3-cyanobenzoate
CID 11928588
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide
CID 9384048
N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide
CID 60667398
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
CID 8976802
(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11929269
2-(4-cyano-2-methoxyphenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11914832
2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide
CID 60720963
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-cyclopentylpropanamide
CID 7757383
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 8976528
[(2R)-1-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2,6-dichlorobenzoate
CID 11924532

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-4-cyanophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide?
The IUPAC name of (2R)-2-(2-chloro-4-cyanophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide (CID 11935435) is (2R)-2-(2-chloro-4-cyanophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide.
What is the SMILES notation for (2R)-2-(2-chloro-4-cyanophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide?
The canonical SMILES for (2R)-2-(2-chloro-4-cyanophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide is C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1Cl.
What is the InChIKey of (2R)-2-(2-chloro-4-cyanophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide?
The InChIKey is AKBOIPMFQZOZTE-BRXULGCHSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-11-5-4-6-16(12(11)2)21-18(22)13(3)23-17-8-7-14(10-20)9-15(17)19/h7-9,11-13,16H,4-6H2,1-3H3,(H,21,22)/t11-,12-,13-,16-/m1/s1.
What are the key properties of (2R)-2-(2-chloro-4-cyanophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide?
(2R)-2-(2-chloro-4-cyanophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide has a molecular weight of 334.85 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-4-cyanophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide is sourced from PubChem (CID 11935435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).