4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide

C19H22ClNO2 — CID 4797069

IUPAC4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide
SMILESCCc1ccccc1NC(=O)CCCOc1ccc(Cl)c(C)c1
InChIInChI=1S/C19H22ClNO2/c1-3-15-7-4-5-8-18(15)21-19(22)9-6-12-23-16-10-11-17(20)14(2)13-16/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,21,22)
InChIKeyCUXXIZCOPRBMTC-UHFFFAOYSA-N
MW331.84 g/mol
LogP5.01
Rot. Bonds7

About 4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide

4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide (PubChem CID 4797069) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide
PubChem CID4797069
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide
SMILESCCc1ccccc1NC(=O)CCCOc1ccc(Cl)c(C)c1
InChIInChI=1S/C19H22ClNO2/c1-3-15-7-4-5-8-18(15)21-19(22)9-6-12-23-16-10-11-17(20)14(2)13-16/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,21,22)
InChIKeyCUXXIZCOPRBMTC-UHFFFAOYSA-N
XLogP5.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.84
LogP ≤ 55.01
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

4-(4-chloro-3-methylphenoxy)-N-(2-ethylsulfonylphenyl)butanamide
CID 55613294
3-(3,4-dimethylphenoxy)-N-(2-ethylphenyl)propanamide
CID 39992819
4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19191212
4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 19191267
4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide
CID 51552249
N-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide
CID 19191287
4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide
CID 19173562
4-(4-chloro-3-ethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 20580448
4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide
CID 2838387
4-(4-chloro-3-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 19191291
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215
N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide
CID 26905201

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide (CID 4797069) is 4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide is CCc1ccccc1NC(=O)CCCOc1ccc(Cl)c(C)c1.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide?
The InChIKey is CUXXIZCOPRBMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-3-15-7-4-5-8-18(15)21-19(22)9-6-12-23-16-10-11-17(20)14(2)13-16/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,21,22).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide?
4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide has a molecular weight of 331.84 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide is sourced from PubChem (CID 4797069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).