5-chloro-2-fluoro-N-octylbenzamide

C15H21ClFNO — CID 113337139

IUPAC5-chloro-2-fluoro-N-octylbenzamide
SMILESCCCCCCCCNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C15H21ClFNO/c1-2-3-4-5-6-7-10-18-15(19)13-11-12(16)8-9-14(13)17/h8-9,11H,2-7,10H2,1H3,(H,18,19)
InChIKeyQUIPXTHPWSTJPJ-UHFFFAOYSA-N
MW285.79 g/mol
LogP4.57
Rot. Bonds8

About 5-chloro-2-fluoro-N-octylbenzamide

5-chloro-2-fluoro-N-octylbenzamide (PubChem CID 113337139) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-octylbenzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-octylbenzamide
PubChem CID113337139
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name5-chloro-2-fluoro-N-octylbenzamide
SMILESCCCCCCCCNC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C15H21ClFNO/c1-2-3-4-5-6-7-10-18-15(19)13-11-12(16)8-9-14(13)17/h8-9,11H,2-7,10H2,1H3,(H,18,19)
InChIKeyQUIPXTHPWSTJPJ-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 54.57
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

2,5-difluoro-N-undecylbenzamide
CID 91717430
2-fluoro-N-hexyl-5-sulfanylbenzamide
CID 107030493
5-amino-2-fluoro-N-hexylbenzamide
CID 61113619
2,4-dichloro-N-nonylbenzamide
CID 3596264
5-acetamido-2-fluoro-N-nonylbenzamide
CID 60568638
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
5-chloro-2-fluoro-N-(3-iodopropyl)benzamide
CID 114504102
5-chloro-N-decyl-2-nitrobenzamide
CID 4113586
5-amino-N-butyl-2-fluorobenzamide
CID 43510823
2,3-difluoro-N-pentylbenzamide
CID 62649821
5-amino-2,4-difluoro-N-hexylbenzamide
CID 61113245
3-chloro-2-fluoro-N-nonylbenzamide
CID 91722725

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-octylbenzamide?
The IUPAC name of 5-chloro-2-fluoro-N-octylbenzamide (CID 113337139) is 5-chloro-2-fluoro-N-octylbenzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-octylbenzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-octylbenzamide is CCCCCCCCNC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-octylbenzamide?
The InChIKey is QUIPXTHPWSTJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-2-3-4-5-6-7-10-18-15(19)13-11-12(16)8-9-14(13)17/h8-9,11H,2-7,10H2,1H3,(H,18,19).
What are the key properties of 5-chloro-2-fluoro-N-octylbenzamide?
5-chloro-2-fluoro-N-octylbenzamide has a molecular weight of 285.79 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-octylbenzamide is sourced from PubChem (CID 113337139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).