2-chloro-N-cyclooctyl-4,5-difluorobenzamide

C15H18ClF2NO — CID 600396

IUPAC2-chloro-N-cyclooctyl-4,5-difluorobenzamide
SMILESO=C(NC1CCCCCCC1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H18ClF2NO/c16-12-9-14(18)13(17)8-11(12)15(20)19-10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H,19,20)
InChIKeyRLCAWBGFEAYDNE-UHFFFAOYSA-N
MW301.76 g/mol
LogP4.46
Rot. Bonds2

About 2-chloro-N-cyclooctyl-4,5-difluorobenzamide

2-chloro-N-cyclooctyl-4,5-difluorobenzamide (PubChem CID 600396) has the molecular formula C15H18ClF2NO and a molecular weight of 301.76 g/mol. Its IUPAC name is 2-chloro-N-cyclooctyl-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclooctyl-4,5-difluorobenzamide
PubChem CID600396
Molecular FormulaC15H18ClF2NO
Molecular Weight301.76 g/mol
Exact Mass301.10
IUPAC Name2-chloro-N-cyclooctyl-4,5-difluorobenzamide
SMILESO=C(NC1CCCCCCC1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H18ClF2NO/c16-12-9-14(18)13(17)8-11(12)15(20)19-10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H,19,20)
InChIKeyRLCAWBGFEAYDNE-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-chloro-N-cyclooctyl-4,5-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-chlorobenzamide
CID 347041
2-Chloro-N-phenethyl-benzamide
CID 692233
N-Benzyl-2-chloro-benzamide
CID 347073
2-Chloro-N-(2-phenyl-propyl)-benzamide
CID 3116854
2,4-dichloro-N-propylbenzamide
CID 221797
2-chloro-N-(cyclopropylmethyl)benzamide
CID 2732307
4-Chloro-N-(1-methylethyl)benzamide
CID 24045
2-Chloro-N-(1-phenylethyl)benzamide
CID 2869527
4-Chloro-N-cyclohexylbenzamide
CID 225461
2-Chloro-N-isobutylbenzamide
CID 220920
2-Chloro-N-(1,1-dimethylethyl)-4,5-difluorobenzamide
CID 2113232
2-chloro-N-cyclooctyl-4-methylbenzamide
CID 885646

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclooctyl-4,5-difluorobenzamide?
The IUPAC name of 2-chloro-N-cyclooctyl-4,5-difluorobenzamide (CID 600396) is 2-chloro-N-cyclooctyl-4,5-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-cyclooctyl-4,5-difluorobenzamide?
The canonical SMILES for 2-chloro-N-cyclooctyl-4,5-difluorobenzamide is O=C(NC1CCCCCCC1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-N-cyclooctyl-4,5-difluorobenzamide?
The InChIKey is RLCAWBGFEAYDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF2NO/c16-12-9-14(18)13(17)8-11(12)15(20)19-10-6-4-2-1-3-5-7-10/h8-10H,1-7H2,(H,19,20).
What are the key properties of 2-chloro-N-cyclooctyl-4,5-difluorobenzamide?
2-chloro-N-cyclooctyl-4,5-difluorobenzamide has a molecular weight of 301.76 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclooctyl-4,5-difluorobenzamide is sourced from PubChem (CID 600396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).