2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide

C16H21ClFNO2 — CID 78840990

IUPAC2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)C(C)Oc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C16H21ClFNO2/c1-10-3-6-13(7-4-10)19-16(20)11(2)21-15-8-5-12(18)9-14(15)17/h5,8-11,13H,3-4,6-7H2,1-2H3,(H,19,20)
InChIKeyFMNWGTAOCRMEKH-UHFFFAOYSA-N
MW313.80 g/mol
LogP3.94
Rot. Bonds4

About 2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide

2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide (PubChem CID 78840990) has the molecular formula C16H21ClFNO2 and a molecular weight of 313.80 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide
PubChem CID78840990
Molecular FormulaC16H21ClFNO2
Molecular Weight313.80 g/mol
Exact Mass313.12
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)C(C)Oc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C16H21ClFNO2/c1-10-3-6-13(7-4-10)19-16(20)11(2)21-15-8-5-12(18)9-14(15)17/h5,8-11,13H,3-4,6-7H2,1-2H3,(H,19,20)
InChIKeyFMNWGTAOCRMEKH-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27212161
2-(2-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250206
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
(2R)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832797
(2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832796
2-(4-acetyl-2-chlorophenoxy)-N-cyclopropylpropanamide
CID 113389862
2-(2-amino-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 62367828
2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 43083012
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862559
2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide
CID 119504495
(2S)-2-(2-chloro-4-phenylphenoxy)-N-cyclopentylpropanamide
CID 7652970

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide (CID 78840990) is 2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide is CC1CCC(NC(=O)C(C)Oc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide?
The InChIKey is FMNWGTAOCRMEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO2/c1-10-3-6-13(7-4-10)19-16(20)11(2)21-15-8-5-12(18)9-14(15)17/h5,8-11,13H,3-4,6-7H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide?
2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide has a molecular weight of 313.80 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide is sourced from PubChem (CID 78840990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).