3-(5-chloro-2-methoxyphenyl)-5-methylhexanamide

C14H20ClNO2 — CID 112509592

IUPAC3-(5-chloro-2-methoxyphenyl)-5-methylhexanamide
SMILESCOc1ccc(Cl)cc1C(CC(N)=O)CC(C)C
InChIInChI=1S/C14H20ClNO2/c1-9(2)6-10(7-14(16)17)12-8-11(15)4-5-13(12)18-3/h4-5,8-10H,6-7H2,1-3H3,(H2,16,17)
InChIKeyWZYIHWIFXLAVKP-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.35
Rot. Bonds6

About 3-(5-chloro-2-methoxyphenyl)-5-methylhexanamide

3-(5-chloro-2-methoxyphenyl)-5-methylhexanamide (PubChem CID 112509592) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-5-methylhexanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-5-methylhexanamide
PubChem CID112509592
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name3-(5-chloro-2-methoxyphenyl)-5-methylhexanamide
SMILESCOc1ccc(Cl)cc1C(CC(N)=O)CC(C)C
InChIInChI=1S/C14H20ClNO2/c1-9(2)6-10(7-14(16)17)12-8-11(15)4-5-13(12)18-3/h4-5,8-10H,6-7H2,1-3H3,(H2,16,17)
InChIKeyWZYIHWIFXLAVKP-UHFFFAOYSA-N
XLogP3.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-4-methylpentanoic acid
CID 82089067
2-(5-chloro-2-methoxyphenyl)propane-1,3-diol
CID 82113852
2-chloro-2-(5-chloro-2-methoxyphenyl)acetamide
CID 138607352
2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine
CID 116835574
3-(5-chloro-2-methoxyphenyl)butanethioamide
CID 83933149
methyl 5-amino-5-(5-chloro-2-methoxyphenyl)-3-methylpentanoate
CID 113425500
3-(2-methoxyphenyl)pentanediamide
CID 20546356
methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
CID 171215055
2-(5-chloro-2-methoxyphenyl)-4-methylpentanenitrile
CID 82083990
methyl 2-bromo-2-(5-chloro-2-methoxyphenyl)acetate
CID 82489876
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
4-(5-chloro-2-methoxyphenyl)-4-(dimethylamino)butan-2-one
CID 116910496

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-methylhexanamide?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-methylhexanamide (CID 112509592) is 3-(5-chloro-2-methoxyphenyl)-5-methylhexanamide.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-5-methylhexanamide?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-5-methylhexanamide is COc1ccc(Cl)cc1C(CC(N)=O)CC(C)C.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-5-methylhexanamide?
The InChIKey is WZYIHWIFXLAVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9(2)6-10(7-14(16)17)12-8-11(15)4-5-13(12)18-3/h4-5,8-10H,6-7H2,1-3H3,(H2,16,17).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-5-methylhexanamide?
3-(5-chloro-2-methoxyphenyl)-5-methylhexanamide has a molecular weight of 269.77 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-5-methylhexanamide is sourced from PubChem (CID 112509592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).