4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzamide

C19H21ClN2O3 — CID 19191093

IUPAC4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzamide
SMILESCc1cc(OCCCC(=O)Nc2ccc(C(N)=O)cc2)cc(C)c1Cl
InChIInChI=1S/C19H21ClN2O3/c1-12-10-16(11-13(2)18(12)20)25-9-3-4-17(23)22-15-7-5-14(6-8-15)19(21)24/h5-8,10-11H,3-4,9H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyMAYOABKZNFLWPC-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.85
Rot. Bonds7

About 4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzamide

4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzamide (PubChem CID 19191093) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzamide.

Molecular Properties

Compound Name4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzamide
PubChem CID19191093
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzamide
SMILESCc1cc(OCCCC(=O)Nc2ccc(C(N)=O)cc2)cc(C)c1Cl
InChIInChI=1S/C19H21ClN2O3/c1-12-10-16(11-13(2)18(12)20)25-9-3-4-17(23)22-15-7-5-14(6-8-15)19(21)24/h5-8,10-11H,3-4,9H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyMAYOABKZNFLWPC-UHFFFAOYSA-N
XLogP3.85
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide
CID 19191108
4-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodophenyl)butanamide
CID 19191112
4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19191082
4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(diethylamino)phenyl]butanamide
CID 19191158
4-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]benzamide
CID 108878087
4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide
CID 2677123
[4-[(4-methylphenyl)carbamoyl]phenyl] 4-(4-chloro-3,5-dimethylphenoxy)butanoate
CID 19206146
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958111
N-(4-acetylphenyl)-4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanamide
CID 19205996
4-(4-hydroxybutanoylamino)benzamide
CID 79203349

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzamide?
The IUPAC name of 4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzamide (CID 19191093) is 4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzamide.
What is the SMILES notation for 4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzamide?
The canonical SMILES for 4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzamide is Cc1cc(OCCCC(=O)Nc2ccc(C(N)=O)cc2)cc(C)c1Cl.
What is the InChIKey of 4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzamide?
The InChIKey is MAYOABKZNFLWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-12-10-16(11-13(2)18(12)20)25-9-3-4-17(23)22-15-7-5-14(6-8-15)19(21)24/h5-8,10-11H,3-4,9H2,1-2H3,(H2,21,24)(H,22,23).
What are the key properties of 4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzamide?
4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzamide has a molecular weight of 360.84 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzamide is sourced from PubChem (CID 19191093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).