2-anilino-N-(3-hexoxyphenyl)benzamide

C25H28N2O2 — CID 54784866

IUPAC2-anilino-N-(3-hexoxyphenyl)benzamide
SMILESCCCCCCOc1cccc(NC(=O)c2ccccc2Nc2ccccc2)c1
InChIInChI=1S/C25H28N2O2/c1-2-3-4-10-18-29-22-15-11-14-21(19-22)27-25(28)23-16-8-9-17-24(23)26-20-12-6-5-7-13-20/h5-9,11-17,19,26H,2-4,10,18H2,1H3,(H,27,28)
InChIKeyAOZNLJSNIBJEMF-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.64
Rot. Bonds10

About 2-anilino-N-(3-hexoxyphenyl)benzamide

2-anilino-N-(3-hexoxyphenyl)benzamide (PubChem CID 54784866) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-anilino-N-(3-hexoxyphenyl)benzamide.

Molecular Properties

Compound Name2-anilino-N-(3-hexoxyphenyl)benzamide
PubChem CID54784866
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name2-anilino-N-(3-hexoxyphenyl)benzamide
SMILESCCCCCCOc1cccc(NC(=O)c2ccccc2Nc2ccccc2)c1
InChIInChI=1S/C25H28N2O2/c1-2-3-4-10-18-29-22-15-11-14-21(19-22)27-25(28)23-16-8-9-17-24(23)26-20-12-6-5-7-13-20/h5-9,11-17,19,26H,2-4,10,18H2,1H3,(H,27,28)
InChIKeyAOZNLJSNIBJEMF-UHFFFAOYSA-N
XLogP6.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.64
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

2-[(3-undecoxyphenyl)carbamoyl]benzoic acid
CID 51001454
2-fluoro-N-(3-hexoxyphenyl)benzamide
CID 17094825
2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 17086084
N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 17094817
N-(3-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130484
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079617
5-bromo-2-ethoxy-N-(3-hexoxyphenyl)benzamide
CID 17094854
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
2-(3-propoxyanilino)benzoic acid
CID 154130973
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(3-hexoxyphenyl)benzamide?
The IUPAC name of 2-anilino-N-(3-hexoxyphenyl)benzamide (CID 54784866) is 2-anilino-N-(3-hexoxyphenyl)benzamide.
What is the SMILES notation for 2-anilino-N-(3-hexoxyphenyl)benzamide?
The canonical SMILES for 2-anilino-N-(3-hexoxyphenyl)benzamide is CCCCCCOc1cccc(NC(=O)c2ccccc2Nc2ccccc2)c1.
What is the InChIKey of 2-anilino-N-(3-hexoxyphenyl)benzamide?
The InChIKey is AOZNLJSNIBJEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-2-3-4-10-18-29-22-15-11-14-21(19-22)27-25(28)23-16-8-9-17-24(23)26-20-12-6-5-7-13-20/h5-9,11-17,19,26H,2-4,10,18H2,1H3,(H,27,28).
What are the key properties of 2-anilino-N-(3-hexoxyphenyl)benzamide?
2-anilino-N-(3-hexoxyphenyl)benzamide has a molecular weight of 388.51 g/mol, XLogP of 6.64, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(3-hexoxyphenyl)benzamide is sourced from PubChem (CID 54784866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).