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

C18H26ClNO2 — CID 4248767

IUPAC4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NC1CCCCCC1
InChIInChI=1S/C18H26ClNO2/c1-14-13-15(19)10-11-17(14)22-12-6-9-18(21)20-16-7-4-2-3-5-8-16/h10-11,13,16H,2-9,12H2,1H3,(H,20,21)
InChIKeyJYTGCLDYZPZDKH-UHFFFAOYSA-N
MW323.86 g/mol
LogP4.65
Rot. Bonds6

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

4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide (PubChem CID 4248767) has the molecular formula C18H26ClNO2 and a molecular weight of 323.86 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide
PubChem CID4248767
Molecular FormulaC18H26ClNO2
Molecular Weight323.86 g/mol
Exact Mass323.17
IUPAC Name4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NC1CCCCCC1
InChIInChI=1S/C18H26ClNO2/c1-14-13-15(19)10-11-17(14)22-12-6-9-18(21)20-16-7-4-2-3-5-8-16/h10-11,13,16H,2-9,12H2,1H3,(H,20,21)
InChIKeyJYTGCLDYZPZDKH-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide
CID 3397487
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-2-methylphenoxy)butanoate
CID 7868590
4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-cyclododecylbutanamide
CID 19205855
4-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)butanamide
CID 2862808
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide
CID 39387148
2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide
CID 2932831
4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 2094963
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-(4-chloro-2-methylphenoxy)butanoate
CID 7868608
3-(2-acetyl-4-chlorophenoxy)-N-cyclopropylpropanamide
CID 62628472
4-(2-bromo-4-ethylphenoxy)-N-cyclohexylbutanamide
CID 19201332
N'-[4-(4-chloro-2-methylphenoxy)butanoyl]-1-propylsulfonylpiperidine-2-carbohydrazide
CID 55997742

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide (CID 4248767) is 4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide is Cc1cc(Cl)ccc1OCCCC(=O)NC1CCCCCC1.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide?
The InChIKey is JYTGCLDYZPZDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO2/c1-14-13-15(19)10-11-17(14)22-12-6-9-18(21)20-16-7-4-2-3-5-8-16/h10-11,13,16H,2-9,12H2,1H3,(H,20,21).
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide?
4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide has a molecular weight of 323.86 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide is sourced from PubChem (CID 4248767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).