4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide

C20H24INO2 — CID 19170785

IUPAC4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ccc(I)cc2C)cc1
InChIInChI=1S/C20H24INO2/c1-3-4-5-6-13-24-18-10-7-16(8-11-18)20(23)22-19-12-9-17(21)14-15(19)2/h7-12,14H,3-6,13H2,1-2H3,(H,22,23)
InChIKeyOAHZOQGQMDTBBO-UHFFFAOYSA-N
MW437.32 g/mol
LogP5.81
Rot. Bonds8

About 4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide

4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide (PubChem CID 19170785) has the molecular formula C20H24INO2 and a molecular weight of 437.32 g/mol. Its IUPAC name is 4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide
PubChem CID19170785
Molecular FormulaC20H24INO2
Molecular Weight437.32 g/mol
Exact Mass437.09
IUPAC Name4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ccc(I)cc2C)cc1
InChIInChI=1S/C20H24INO2/c1-3-4-5-6-13-24-18-10-7-16(8-11-18)20(23)22-19-12-9-17(21)14-15(19)2/h7-12,14H,3-6,13H2,1-2H3,(H,22,23)
InChIKeyOAHZOQGQMDTBBO-UHFFFAOYSA-N
XLogP5.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.32
LogP ≤ 55.81
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-heptoxy-N-[4-[4-[(4-heptoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4951178
4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 1350175
4-butoxy-N-[4-[4-[(4-butoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4190773
N-(4-iodophenyl)-4-pentoxybenzamide
CID 4935000
N-(2,5-dimethylphenyl)-4-pentoxybenzamide
CID 4935012
4-butoxy-N-(2-methyl-4-nitrophenyl)benzamide
CID 4936149
4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 4935004
3-[(4-hexoxybenzoyl)amino]-4-hydroxybenzoic acid
CID 108753903
4-heptoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 4950611
N-(4-cyano-7-oxocyclohepta-1,3,5-trien-1-yl)-4-tetradecoxybenzamide
CID 101164201
4-[(4-butoxybenzoyl)carbamothioylamino]-3-methylbenzoic acid
CID 28687969
N-[4-iodo-2-(trifluoromethyl)phenyl]-4-propoxybenzamide
CID 3657897

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide?
The IUPAC name of 4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide (CID 19170785) is 4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide.
What is the SMILES notation for 4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide?
The canonical SMILES for 4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide is CCCCCCOc1ccc(C(=O)Nc2ccc(I)cc2C)cc1.
What is the InChIKey of 4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide?
The InChIKey is OAHZOQGQMDTBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24INO2/c1-3-4-5-6-13-24-18-10-7-16(8-11-18)20(23)22-19-12-9-17(21)14-15(19)2/h7-12,14H,3-6,13H2,1-2H3,(H,22,23).
What are the key properties of 4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide?
4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide has a molecular weight of 437.32 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N-(4-iodo-2-methylphenyl)benzamide is sourced from PubChem (CID 19170785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).