2-hydroxy-N-phenyl-3-(trifluoromethyl)benzamide;octanal

C22H26F3NO3 — CID 174730794

IUPAC2-hydroxy-N-phenyl-3-(trifluoromethyl)benzamide;octanal
SMILESCCCCCCCC=O.O=C(Nc1ccccc1)c1cccc(C(F)(F)F)c1O
InChIInChI=1S/C14H10F3NO2.C8H16O/c15-14(16,17)11-8-4-7-10(12(11)19)13(20)18-9-5-2-1-3-6-9;1-2-3-4-5-6-7-8-9/h1-8,19H,(H,18,20);8H,2-7H2,1H3
InChIKeyOOAZSYUEAUQACJ-UHFFFAOYSA-N
MW409.45 g/mol
LogP6.21
Rot. Bonds8

About 2-hydroxy-N-phenyl-3-(trifluoromethyl)benzamide;octanal

2-hydroxy-N-phenyl-3-(trifluoromethyl)benzamide;octanal (PubChem CID 174730794) has the molecular formula C22H26F3NO3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-hydroxy-N-phenyl-3-(trifluoromethyl)benzamide;octanal.

Molecular Properties

Compound Name2-hydroxy-N-phenyl-3-(trifluoromethyl)benzamide;octanal
PubChem CID174730794
Molecular FormulaC22H26F3NO3
Molecular Weight409.45 g/mol
Exact Mass409.19
IUPAC Name2-hydroxy-N-phenyl-3-(trifluoromethyl)benzamide;octanal
SMILESCCCCCCCC=O.O=C(Nc1ccccc1)c1cccc(C(F)(F)F)c1O
InChIInChI=1S/C14H10F3NO2.C8H16O/c15-14(16,17)11-8-4-7-10(12(11)19)13(20)18-9-5-2-1-3-6-9;1-2-3-4-5-6-7-8-9/h1-8,19H,(H,18,20);8H,2-7H2,1H3
InChIKeyOOAZSYUEAUQACJ-UHFFFAOYSA-N
XLogP6.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dodecanamide;2-hydroxy-N-phenylbenzamide
CID 174887161
2-methylbenzene-1,3-dicarboxylic acid;pentadecanal
CID 174250135
2-hydroxy-N-phenyl-3,5-bis(trifluoromethyl)benzamide
CID 154394925
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
N-(4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 28739363
N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 1259866
8-oxo-N-phenyloctanamide
CID 15739209
1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483
N-phenyldec-2-enamide
CID 72974313
2-butyl-N-phenylbenzamide
CID 3695058

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-phenyl-3-(trifluoromethyl)benzamide;octanal?
The IUPAC name of 2-hydroxy-N-phenyl-3-(trifluoromethyl)benzamide;octanal (CID 174730794) is 2-hydroxy-N-phenyl-3-(trifluoromethyl)benzamide;octanal.
What is the SMILES notation for 2-hydroxy-N-phenyl-3-(trifluoromethyl)benzamide;octanal?
The canonical SMILES for 2-hydroxy-N-phenyl-3-(trifluoromethyl)benzamide;octanal is CCCCCCCC=O.O=C(Nc1ccccc1)c1cccc(C(F)(F)F)c1O.
What is the InChIKey of 2-hydroxy-N-phenyl-3-(trifluoromethyl)benzamide;octanal?
The InChIKey is OOAZSYUEAUQACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2.C8H16O/c15-14(16,17)11-8-4-7-10(12(11)19)13(20)18-9-5-2-1-3-6-9;1-2-3-4-5-6-7-8-9/h1-8,19H,(H,18,20);8H,2-7H2,1H3.
What are the key properties of 2-hydroxy-N-phenyl-3-(trifluoromethyl)benzamide;octanal?
2-hydroxy-N-phenyl-3-(trifluoromethyl)benzamide;octanal has a molecular weight of 409.45 g/mol, XLogP of 6.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-phenyl-3-(trifluoromethyl)benzamide;octanal is sourced from PubChem (CID 174730794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).