N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide

C18H18F3NO2 — CID 35513604

IUPACN-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCOCCCNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO2/c1-24-12-4-11-22-17(23)16-6-3-2-5-15(16)13-7-9-14(10-8-13)18(19,20)21/h2-3,5-10H,4,11-12H2,1H3,(H,22,23)
InChIKeyRHVGVAFSCLHPOM-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.14
Rot. Bonds6

About N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide

N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 35513604) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID35513604
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC NameN-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCOCCCNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO2/c1-24-12-4-11-22-17(23)16-6-3-2-5-15(16)13-7-9-14(10-8-13)18(19,20)21/h2-3,5-10H,4,11-12H2,1H3,(H,22,23)
InChIKeyRHVGVAFSCLHPOM-UHFFFAOYSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 44758028
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
N-[3-(2-hydroxyethoxy)propyl]-2-phenylbenzamide
CID 110022367
2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 16680132
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 46535520
N-butyl-2-phenylbenzamide
CID 21064565
N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2121231
N-(2-methyl-1-methylsulfanylpropan-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 22066223
diethyl-[2-[[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoyl]amino]ethyl]azanium
CID 2105849
2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 29176493
N-(3-methoxypropyl)-2-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 167970947
2-[4-(2-methoxyethylcarbamoyl)phenyl]-N,N-dimethylbenzamide
CID 91319967

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide (CID 35513604) is N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide is COCCCNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is RHVGVAFSCLHPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-24-12-4-11-22-17(23)16-6-3-2-5-15(16)13-7-9-14(10-8-13)18(19,20)21/h2-3,5-10H,4,11-12H2,1H3,(H,22,23).
What are the key properties of N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 337.34 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 35513604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).