3-chloro-2-fluoro-N-nonylbenzamide

C16H23ClFNO — CID 91722725

IUPAC3-chloro-2-fluoro-N-nonylbenzamide
SMILESCCCCCCCCCNC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C16H23ClFNO/c1-2-3-4-5-6-7-8-12-19-16(20)13-10-9-11-14(17)15(13)18/h9-11H,2-8,12H2,1H3,(H,19,20)
InChIKeyWAZGRIMSGNAZJO-UHFFFAOYSA-N
MW299.82 g/mol
LogP4.96
Rot. Bonds9

About 3-chloro-2-fluoro-N-nonylbenzamide

3-chloro-2-fluoro-N-nonylbenzamide (PubChem CID 91722725) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-nonylbenzamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-nonylbenzamide
PubChem CID91722725
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC Name3-chloro-2-fluoro-N-nonylbenzamide
SMILESCCCCCCCCCNC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C16H23ClFNO/c1-2-3-4-5-6-7-8-12-19-16(20)13-10-9-11-14(17)15(13)18/h9-11H,2-8,12H2,1H3,(H,19,20)
InChIKeyWAZGRIMSGNAZJO-UHFFFAOYSA-N
XLogP4.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-fluoro-N-tetradecylbenzamide
CID 91722769
2-chloro-N-undecylbenzamide
CID 3373978
2,3-difluoro-N-pentylbenzamide
CID 62649821
N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
3-chloro-2-fluoro-N-(4-iodobutyl)benzamide
CID 106846240
ethyl 4-[(3-chloro-2-fluorobenzoyl)amino]butanoate
CID 80979995
N-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide
CID 81267427
3-bromo-2-chloro-N-hexylbenzamide
CID 103975214
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
3-bromo-N-butyl-2-fluorobenzamide
CID 106544046
2,3-dimethyl-N-octadecylbenzamide
CID 174462915
N-dodecylnaphthalene-1-carboxamide
CID 4278758

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-nonylbenzamide?
The IUPAC name of 3-chloro-2-fluoro-N-nonylbenzamide (CID 91722725) is 3-chloro-2-fluoro-N-nonylbenzamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-nonylbenzamide?
The canonical SMILES for 3-chloro-2-fluoro-N-nonylbenzamide is CCCCCCCCCNC(=O)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-nonylbenzamide?
The InChIKey is WAZGRIMSGNAZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-2-3-4-5-6-7-8-12-19-16(20)13-10-9-11-14(17)15(13)18/h9-11H,2-8,12H2,1H3,(H,19,20).
What are the key properties of 3-chloro-2-fluoro-N-nonylbenzamide?
3-chloro-2-fluoro-N-nonylbenzamide has a molecular weight of 299.82 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-nonylbenzamide is sourced from PubChem (CID 91722725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).