N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide

C23H22Cl2F6N2O2 — CID 54787319

IUPACN,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
SMILESO=C(CCCCCCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C23H22Cl2F6N2O2/c24-16-10-8-14(22(26,27)28)12-18(16)32-20(34)6-4-2-1-3-5-7-21(35)33-19-13-15(23(29,30)31)9-11-17(19)25/h8-13H,1-7H2,(H,32,34)(H,33,35)
InChIKeyCJEBBCMYFWAUCP-UHFFFAOYSA-N
MW543.34 g/mol
LogP8.34
Rot. Bonds10

About N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide

N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide (PubChem CID 54787319) has the molecular formula C23H22Cl2F6N2O2 and a molecular weight of 543.34 g/mol. Its IUPAC name is N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide.

Molecular Properties

Compound NameN,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
PubChem CID54787319
Molecular FormulaC23H22Cl2F6N2O2
Molecular Weight543.34 g/mol
Exact Mass542.10
IUPAC NameN,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
SMILESO=C(CCCCCCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C23H22Cl2F6N2O2/c24-16-10-8-14(22(26,27)28)12-18(16)32-20(34)6-4-2-1-3-5-7-21(35)33-19-13-15(23(29,30)31)9-11-17(19)25/h8-13H,1-7H2,(H,32,34)(H,33,35)
InChIKeyCJEBBCMYFWAUCP-UHFFFAOYSA-N
XLogP8.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.34
LogP ≤ 58.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-3-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 19191291
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide
CID 109037746
4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide
CID 60723512
N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
CID 17154442
5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide
CID 55143429
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpropanediamide
CID 108941307
(2-anilino-2-oxoethyl) 5-[2-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoate
CID 17258688
3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 113115861
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide
CID 6277415
2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate
CID 7407565
5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide
CID 81198138
N-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109040864

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide?
The IUPAC name of N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide (CID 54787319) is N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide.
What is the SMILES notation for N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide?
The canonical SMILES for N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide is O=C(CCCCCCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide?
The InChIKey is CJEBBCMYFWAUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2F6N2O2/c24-16-10-8-14(22(26,27)28)12-18(16)32-20(34)6-4-2-1-3-5-7-21(35)33-19-13-15(23(29,30)31)9-11-17(19)25/h8-13H,1-7H2,(H,32,34)(H,33,35).
What are the key properties of N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide?
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide has a molecular weight of 543.34 g/mol, XLogP of 8.34, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide is sourced from PubChem (CID 54787319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).