4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide

C18H19ClFNO2 — CID 18226308

IUPAC4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide
SMILESCc1ccc(F)cc1NC(=O)CCCOc1ccc(Cl)cc1C
InChIInChI=1S/C18H19ClFNO2/c1-12-5-7-15(20)11-16(12)21-18(22)4-3-9-23-17-8-6-14(19)10-13(17)2/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyCWFDTHUXQJGTCS-UHFFFAOYSA-N
MW335.81 g/mol
LogP4.89
Rot. Bonds6

About 4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide

4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide (PubChem CID 18226308) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide
PubChem CID18226308
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC Name4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide
SMILESCc1ccc(F)cc1NC(=O)CCCOc1ccc(Cl)cc1C
InChIInChI=1S/C18H19ClFNO2/c1-12-5-7-15(20)11-16(12)21-18(22)4-3-9-23-17-8-6-14(19)10-13(17)2/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyCWFDTHUXQJGTCS-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-(5-chloro-2-methylphenyl)thiourea
CID 17371463
4-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methylideneamino]butanamide
CID 4658763
2-(4-chloro-2-methylphenoxy)-N-(2,4-difluorophenyl)acetamide
CID 3945608
N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4174963
4-(4-chloro-2-methylphenoxy)-N-[4-[4-[4-(4-chloro-2-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 5198436
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253
4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 84552445
4-(2-bromo-4-propan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 19206295
N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide
CID 2165687
4-(4-chloro-2-methylphenoxy)-N-(5-ethylsulfonyl-2-hydroxyphenyl)butanamide
CID 35978441
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 19191267

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide (CID 18226308) is 4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide is Cc1ccc(F)cc1NC(=O)CCCOc1ccc(Cl)cc1C.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide?
The InChIKey is CWFDTHUXQJGTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-12-5-7-15(20)11-16(12)21-18(22)4-3-9-23-17-8-6-14(19)10-13(17)2/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22).
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide?
4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide has a molecular weight of 335.81 g/mol, XLogP of 4.89, 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-(5-fluoro-2-methylphenyl)butanamide is sourced from PubChem (CID 18226308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).