2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide

C16H21ClFNO2 — CID 11914731

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H21ClFNO2/c1-10-4-3-5-15(11(10)2)19-16(20)9-21-12-6-7-14(18)13(17)8-12/h6-8,10-11,15H,3-5,9H2,1-2H3,(H,19,20)/t10-,11-,15-/m1/s1
InChIKeyTYUHVJBLJVKLJF-UEKVPHQBSA-N
MW313.80 g/mol
LogP3.80
Rot. Bonds4

About 2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide

2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide (PubChem CID 11914731) has the molecular formula C16H21ClFNO2 and a molecular weight of 313.80 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
PubChem CID11914731
Molecular FormulaC16H21ClFNO2
Molecular Weight313.80 g/mol
Exact Mass313.12
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
SMILESC[C@@H]1[C@H](C)CCC[C@H]1NC(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H21ClFNO2/c1-10-4-3-5-15(11(10)2)19-16(20)9-21-12-6-7-14(18)13(17)8-12/h6-8,10-11,15H,3-5,9H2,1-2H3,(H,19,20)/t10-,11-,15-/m1/s1
InChIKeyTYUHVJBLJVKLJF-UEKVPHQBSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11916036
2-(3,5-dichlorophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11906049
2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide
CID 110164950
2-(3,4-difluorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7707055
2-(2-bromo-4-chlorophenoxy)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11919791
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(3-methylphenoxy)acetamide
CID 11920025
[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 11930384
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(3,5-dimethylphenoxy)acetamide
CID 11919770
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2435807
2-(3-acetylphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11917453
5-chloro-2-[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide
CID 9362464
2-(3-chloro-4-fluorophenoxy)-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]acetamide
CID 122564214

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide (CID 11914731) is 2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide is C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)COc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
The InChIKey is TYUHVJBLJVKLJF-UEKVPHQBSA-N. The full InChI is InChI=1S/C16H21ClFNO2/c1-10-4-3-5-15(11(10)2)19-16(20)9-21-12-6-7-14(18)13(17)8-12/h6-8,10-11,15H,3-5,9H2,1-2H3,(H,19,20)/t10-,11-,15-/m1/s1.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide?
2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide has a molecular weight of 313.80 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide is sourced from PubChem (CID 11914731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).