2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide

C17H24ClNO2 — CID 2932831

IUPAC2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C17H24ClNO2/c1-12-11-14(18)9-10-16(12)21-13(2)17(20)19-15-7-5-3-4-6-8-15/h9-11,13,15H,3-8H2,1-2H3,(H,19,20)
InChIKeyZORGBFBWSHUFAR-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.25
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide

2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide (PubChem CID 2932831) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide
PubChem CID2932831
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C17H24ClNO2/c1-12-11-14(18)9-10-16(12)21-13(2)17(20)19-15-7-5-3-4-6-8-15/h9-11,13,15H,3-8H2,1-2H3,(H,19,20)
InChIKeyZORGBFBWSHUFAR-UHFFFAOYSA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide
CID 78933522
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
CID 94842700
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 46539519
2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-cyclopentylpropanamide
CID 60905070
2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
CID 86921283
3-[[(2S)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]-N-cyclopropylbenzamide
CID 30126849
N-cyclooctyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 46771023
N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide
CID 46771593
(2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 725864
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide (CID 2932831) is 2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide is Cc1cc(Cl)ccc1OC(C)C(=O)NC1CCCCCC1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide?
The InChIKey is ZORGBFBWSHUFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-12-11-14(18)9-10-16(12)21-13(2)17(20)19-15-7-5-3-4-6-8-15/h9-11,13,15H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide?
2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide has a molecular weight of 309.84 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide is sourced from PubChem (CID 2932831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).