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

C19H22ClNO2 — CID 19191215

IUPAC4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)cc1C
InChIInChI=1S/C19H22ClNO2/c1-13-6-7-16(11-14(13)2)21-19(22)5-4-10-23-17-8-9-18(20)15(3)12-17/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)
InChIKeyWMWQFQKMVPKMDU-UHFFFAOYSA-N
MW331.84 g/mol
LogP5.06
Rot. Bonds6

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

4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide (PubChem CID 19191215) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
PubChem CID19191215
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)cc1C
InChIInChI=1S/C19H22ClNO2/c1-13-6-7-16(11-14(13)2)21-19(22)5-4-10-23-17-8-9-18(20)15(3)12-17/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)
InChIKeyWMWQFQKMVPKMDU-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-(4-methyl-3-nitrophenyl)butanamide
CID 19191276
4-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)butanamide
CID 8892876
4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide
CID 32937961
4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 19191267
4-(4-chloro-3-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide
CID 17485300
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(4-chloro-3-methylphenoxy)butanoate
CID 7199668
4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19191212
propyl 3-[4-(4-chloro-3-methylphenoxy)butanoylamino]benzoate
CID 19191236
4-(4-chloro-3-methylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 51153465
4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide
CID 4797069
4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide
CID 51552249
4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 2666592

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide (CID 19191215) is 4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide is Cc1ccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)cc1C.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide?
The InChIKey is WMWQFQKMVPKMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-13-6-7-16(11-14(13)2)21-19(22)5-4-10-23-17-8-9-18(20)15(3)12-17/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide?
4-(4-chloro-3-methylphenoxy)-N-(3,4-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-(3,4-dimethylphenyl)butanamide is sourced from PubChem (CID 19191215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).