4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide

C19H22ClNO2 — CID 19191212

IUPAC4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)c(C)c1
InChIInChI=1S/C19H22ClNO2/c1-13-6-9-18(15(3)11-13)21-19(22)5-4-10-23-16-7-8-17(20)14(2)12-16/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)
InChIKeyLQDRKGZNLZCTHS-UHFFFAOYSA-N
MW331.84 g/mol
LogP5.06
Rot. Bonds6

About 4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide

4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide (PubChem CID 19191212) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
PubChem CID19191212
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)c(C)c1
InChIInChI=1S/C19H22ClNO2/c1-13-6-9-18(15(3)11-13)21-19(22)5-4-10-23-16-7-8-17(20)14(2)12-16/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)
InChIKeyLQDRKGZNLZCTHS-UHFFFAOYSA-N
XLogP5.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.84
LogP ≤ 55.06
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-hydroxy-4-methylphenyl)butanamide
CID 51552249
4-(4-chloro-3-ethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 20580448
N-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072237
4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 19191267
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846193
4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide
CID 4797069
4-(4-chloro-3-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 19191291
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
CID 18268166
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215
4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2671659
N-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide
CID 19191287
4-(4-chloro-3-methylphenoxy)-N-(2-ethylsulfonylphenyl)butanamide
CID 55613294

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide (CID 19191212) is 4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide is Cc1ccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)c(C)c1.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide?
The InChIKey is LQDRKGZNLZCTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-13-6-9-18(15(3)11-13)21-19(22)5-4-10-23-16-7-8-17(20)14(2)12-16/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide?
4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide has a molecular weight of 331.84 g/mol, XLogP of 5.06, 6 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-(2,4-dimethylphenyl)butanamide is sourced from PubChem (CID 19191212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).