3-(1-chlorononoxy)benzamide

C16H24ClNO2 — CID 142780702

IUPAC3-(1-chlorononoxy)benzamide
SMILESCCCCCCCCC(Cl)Oc1cccc(C(N)=O)c1
InChIInChI=1S/C16H24ClNO2/c1-2-3-4-5-6-7-11-15(17)20-14-10-8-9-13(12-14)16(18)19/h8-10,12,15H,2-7,11H2,1H3,(H2,18,19)
InChIKeyRXLUWLPBODRCDE-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.48
Rot. Bonds10

About 3-(1-chlorononoxy)benzamide

3-(1-chlorononoxy)benzamide (PubChem CID 142780702) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-(1-chlorononoxy)benzamide.

Molecular Properties

Compound Name3-(1-chlorononoxy)benzamide
PubChem CID142780702
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name3-(1-chlorononoxy)benzamide
SMILESCCCCCCCCC(Cl)Oc1cccc(C(N)=O)c1
InChIInChI=1S/C16H24ClNO2/c1-2-3-4-5-6-7-11-15(17)20-14-10-8-9-13(12-14)16(18)19/h8-10,12,15H,2-7,11H2,1H3,(H2,18,19)
InChIKeyRXLUWLPBODRCDE-UHFFFAOYSA-N
XLogP4.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-butoxypentoxy)benzamide
CID 71713772
ethyl 2-(3-carbamoylphenoxy)butanoate
CID 64662255
3-[(Z)-non-2-enoxy]benzamide
CID 59403054
3-propoxybenzamide
CID 22311435
3-N,3-N-didodecylbenzene-1,3-dicarboxamide
CID 70541618
4-(1-hydroxyundecoxy)benzamide
CID 67763427
3-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 56986321
1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687
4-amino-3-octan-2-yloxybenzamide
CID 63356712
butyl 3-carbamoylbenzoate
CID 112725414
2-(3-formylphenoxy)octanamide
CID 123140389
3,5-di(pentadecoxy)benzamide
CID 69275649

Frequently Asked Questions

What is the IUPAC name of 3-(1-chlorononoxy)benzamide?
The IUPAC name of 3-(1-chlorononoxy)benzamide (CID 142780702) is 3-(1-chlorononoxy)benzamide.
What is the SMILES notation for 3-(1-chlorononoxy)benzamide?
The canonical SMILES for 3-(1-chlorononoxy)benzamide is CCCCCCCCC(Cl)Oc1cccc(C(N)=O)c1.
What is the InChIKey of 3-(1-chlorononoxy)benzamide?
The InChIKey is RXLUWLPBODRCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-2-3-4-5-6-7-11-15(17)20-14-10-8-9-13(12-14)16(18)19/h8-10,12,15H,2-7,11H2,1H3,(H2,18,19).
What are the key properties of 3-(1-chlorononoxy)benzamide?
3-(1-chlorononoxy)benzamide has a molecular weight of 297.83 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chlorononoxy)benzamide is sourced from PubChem (CID 142780702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).