N'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide

C19H14F3N3O2 — CID 108956077

IUPACN'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide
SMILESO=C(CC(=O)Nc1cccc2cccnc12)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)13-6-2-7-14(10-13)24-16(26)11-17(27)25-15-8-1-4-12-5-3-9-23-18(12)15/h1-10H,11H2,(H,24,26)(H,25,27)
InChIKeyVVYHQDLXPFACLP-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.22
Rot. Bonds4

About N'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide

N'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108956077) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is N'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide
PubChem CID108956077
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC NameN'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide
SMILESO=C(CC(=O)Nc1cccc2cccnc12)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)13-6-2-7-14(10-13)24-16(26)11-17(27)25-15-8-1-4-12-5-3-9-23-18(12)15/h1-10H,11H2,(H,24,26)(H,25,27)
InChIKeyVVYHQDLXPFACLP-UHFFFAOYSA-N
XLogP4.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108954735
methyl 3-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956340
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
2-anilino-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
CID 134849172
N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide
CID 108956736
N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956737
methyl 4-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956372
lithium 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
CID 23693664
N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956092
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
CID 89006052
CID 89006052

Frequently Asked Questions

What is the IUPAC name of N'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide (CID 108956077) is N'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide is O=C(CC(=O)Nc1cccc2cccnc12)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is VVYHQDLXPFACLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c20-19(21,22)13-6-2-7-14(10-13)24-16(26)11-17(27)25-15-8-1-4-12-5-3-9-23-18(12)15/h1-10H,11H2,(H,24,26)(H,25,27).
What are the key properties of N'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide?
N'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 373.33 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108956077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).