N'-[4-(trifluoromethyl)phenyl]nonanediamide

C16H21F3N2O2 — CID 91365401

IUPACN'-[4-(trifluoromethyl)phenyl]nonanediamide
SMILESNC(=O)CCCCCCCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)12-8-10-13(11-9-12)21-15(23)7-5-3-1-2-4-6-14(20)22/h8-11H,1-7H2,(H2,20,22)(H,21,23)
InChIKeyYNOAAQBPYKAMFJ-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.86
Rot. Bonds9

About N'-[4-(trifluoromethyl)phenyl]nonanediamide

N'-[4-(trifluoromethyl)phenyl]nonanediamide (PubChem CID 91365401) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N'-[4-(trifluoromethyl)phenyl]nonanediamide.

Molecular Properties

Compound NameN'-[4-(trifluoromethyl)phenyl]nonanediamide
PubChem CID91365401
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN'-[4-(trifluoromethyl)phenyl]nonanediamide
SMILESNC(=O)CCCCCCCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)12-8-10-13(11-9-12)21-15(23)7-5-3-1-2-4-6-14(20)22/h8-11H,1-7H2,(H2,20,22)(H,21,23)
InChIKeyYNOAAQBPYKAMFJ-UHFFFAOYSA-N
XLogP3.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.86
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

methyl 9-oxo-9-[4-(trifluoromethyl)anilino]nonanoate
CID 2741082
3-methyl-2-oxo-N-[4-(trifluoromethyl)phenyl]nonanediamide
CID 70145027
6-[4-(trifluoromethyl)phenyl]hexanamide
CID 66848410
S-[2-oxo-2-[[6-oxo-6-[4-(trifluoromethyl)anilino]hexyl]amino]ethyl] chloromethanethioate
CID 162604191
dimethyl-[3-oxo-3-[4-(trifluoromethyl)anilino]propyl]sulfanium
CID 10623396
N-(4-aminophenyl)-9,9,9-trifluoro-8-oxononanamide
CID 70069905
(5Z,8Z,11Z,14Z)-N-[4-(trifluoromethyl)phenyl]icosa-5,8,11,14-tetraenamide
CID 130441271
5-[4-(trifluoromethyl)phenyl]pentanamide
CID 162568096
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
CID 173311186
N-(4-tert-butylphenyl)dodecanamide
CID 118504435
2-oxo-2-[[4-(tridecanoylamino)phenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 10152904

Frequently Asked Questions

What is the IUPAC name of N'-[4-(trifluoromethyl)phenyl]nonanediamide?
The IUPAC name of N'-[4-(trifluoromethyl)phenyl]nonanediamide (CID 91365401) is N'-[4-(trifluoromethyl)phenyl]nonanediamide.
What is the SMILES notation for N'-[4-(trifluoromethyl)phenyl]nonanediamide?
The canonical SMILES for N'-[4-(trifluoromethyl)phenyl]nonanediamide is NC(=O)CCCCCCCC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-[4-(trifluoromethyl)phenyl]nonanediamide?
The InChIKey is YNOAAQBPYKAMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c17-16(18,19)12-8-10-13(11-9-12)21-15(23)7-5-3-1-2-4-6-14(20)22/h8-11H,1-7H2,(H2,20,22)(H,21,23).
What are the key properties of N'-[4-(trifluoromethyl)phenyl]nonanediamide?
N'-[4-(trifluoromethyl)phenyl]nonanediamide has a molecular weight of 330.35 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(trifluoromethyl)phenyl]nonanediamide is sourced from PubChem (CID 91365401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).