4-(2-nonoxyphenyl)benzamide

C22H29NO2 — CID 67822371

IUPAC4-(2-nonoxyphenyl)benzamide
SMILESCCCCCCCCCOc1ccccc1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C22H29NO2/c1-2-3-4-5-6-7-10-17-25-21-12-9-8-11-20(21)18-13-15-19(16-14-18)22(23)24/h8-9,11-16H,2-7,10,17H2,1H3,(H2,23,24)
InChIKeyAVZLBZXQWQLZKV-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.58
Rot. Bonds11

About 4-(2-nonoxyphenyl)benzamide

4-(2-nonoxyphenyl)benzamide (PubChem CID 67822371) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-(2-nonoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(2-nonoxyphenyl)benzamide
PubChem CID67822371
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name4-(2-nonoxyphenyl)benzamide
SMILESCCCCCCCCCOc1ccccc1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C22H29NO2/c1-2-3-4-5-6-7-10-17-25-21-12-9-8-11-20(21)18-13-15-19(16-14-18)22(23)24/h8-9,11-16H,2-7,10,17H2,1H3,(H2,23,24)
InChIKeyAVZLBZXQWQLZKV-UHFFFAOYSA-N
XLogP5.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.58
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

1-octadecoxy-2-phenylbenzene
CID 70983974
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
3-decoxy-4-phenylbenzoyl chloride
CID 139626660
2-(2-butoxyphenyl)benzamide
CID 174985404
hexyl (2-phenylphenyl) carbonate
CID 67180373
4-[2-(4-octoxyphenyl)phenyl]benzoic acid
CID 131719004
3-amino-4-octoxybenzamide
CID 43448577
2-(2-heptoxyphenyl)benzoic acid
CID 70433575
3-amino-4-hexoxybenzamide
CID 43448578
methyl 4-[2-(3-aminopropoxy)phenyl]benzoate
CID 170456514
dodecyl 2-dodecoxybenzoate
CID 57240468
4-methoxy-3-pentoxybenzamide
CID 82041442

Frequently Asked Questions

What is the IUPAC name of 4-(2-nonoxyphenyl)benzamide?
The IUPAC name of 4-(2-nonoxyphenyl)benzamide (CID 67822371) is 4-(2-nonoxyphenyl)benzamide.
What is the SMILES notation for 4-(2-nonoxyphenyl)benzamide?
The canonical SMILES for 4-(2-nonoxyphenyl)benzamide is CCCCCCCCCOc1ccccc1-c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(2-nonoxyphenyl)benzamide?
The InChIKey is AVZLBZXQWQLZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-2-3-4-5-6-7-10-17-25-21-12-9-8-11-20(21)18-13-15-19(16-14-18)22(23)24/h8-9,11-16H,2-7,10,17H2,1H3,(H2,23,24).
What are the key properties of 4-(2-nonoxyphenyl)benzamide?
4-(2-nonoxyphenyl)benzamide has a molecular weight of 339.48 g/mol, XLogP of 5.58, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nonoxyphenyl)benzamide is sourced from PubChem (CID 67822371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).