4-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodophenyl)butanamide

C18H19ClINO2 — CID 19191112

IUPAC4-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodophenyl)butanamide
SMILESCc1cc(OCCCC(=O)Nc2ccc(I)cc2)cc(C)c1Cl
InChIInChI=1S/C18H19ClINO2/c1-12-10-16(11-13(2)18(12)19)23-9-3-4-17(22)21-15-7-5-14(20)6-8-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyMDIHGYFANNRKGH-UHFFFAOYSA-N
MW443.71 g/mol
LogP5.36
Rot. Bonds6

About 4-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodophenyl)butanamide

4-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodophenyl)butanamide (PubChem CID 19191112) has the molecular formula C18H19ClINO2 and a molecular weight of 443.71 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodophenyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodophenyl)butanamide
PubChem CID19191112
Molecular FormulaC18H19ClINO2
Molecular Weight443.71 g/mol
Exact Mass443.01
IUPAC Name4-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodophenyl)butanamide
SMILESCc1cc(OCCCC(=O)Nc2ccc(I)cc2)cc(C)c1Cl
InChIInChI=1S/C18H19ClINO2/c1-12-10-16(11-13(2)18(12)19)23-9-3-4-17(22)21-15-7-5-14(20)6-8-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyMDIHGYFANNRKGH-UHFFFAOYSA-N
XLogP5.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.71
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide
CID 19191108
4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzamide
CID 19191093
4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(diethylamino)phenyl]butanamide
CID 19191158
4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19191082
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
4-(2-bromo-4-methylphenoxy)-N-(4-iodophenyl)butanamide
CID 19202098
N,N'-bis(4-iodophenyl)nonanediamide
CID 4507998
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
2-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]propanoic acid
CID 53263869
[4-[(4-methylphenyl)carbamoyl]phenyl] 4-(4-chloro-3,5-dimethylphenoxy)butanoate
CID 19206146
4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide
CID 32937961

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodophenyl)butanamide?
The IUPAC name of 4-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodophenyl)butanamide (CID 19191112) is 4-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodophenyl)butanamide.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodophenyl)butanamide?
The canonical SMILES for 4-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodophenyl)butanamide is Cc1cc(OCCCC(=O)Nc2ccc(I)cc2)cc(C)c1Cl.
What is the InChIKey of 4-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodophenyl)butanamide?
The InChIKey is MDIHGYFANNRKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClINO2/c1-12-10-16(11-13(2)18(12)19)23-9-3-4-17(22)21-15-7-5-14(20)6-8-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22).
What are the key properties of 4-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodophenyl)butanamide?
4-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodophenyl)butanamide has a molecular weight of 443.71 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodophenyl)butanamide is sourced from PubChem (CID 19191112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).