N'-(5-hydroxynaphthalen-1-yl)-N-[4-(trifluoromethyl)phenyl]oxamide

C19H13F3N2O3 — CID 108509442

IUPACN'-(5-hydroxynaphthalen-1-yl)-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C19H13F3N2O3/c20-19(21,22)11-7-9-12(10-8-11)23-17(26)18(27)24-15-5-1-4-14-13(15)3-2-6-16(14)25/h1-10,25H,(H,23,26)(H,24,27)
InChIKeyJKFPGQXLDYELFS-UHFFFAOYSA-N
MW374.32 g/mol
LogP4.14
Rot. Bonds2

About N'-(5-hydroxynaphthalen-1-yl)-N-[4-(trifluoromethyl)phenyl]oxamide

N'-(5-hydroxynaphthalen-1-yl)-N-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 108509442) has the molecular formula C19H13F3N2O3 and a molecular weight of 374.32 g/mol. Its IUPAC name is N'-(5-hydroxynaphthalen-1-yl)-N-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(5-hydroxynaphthalen-1-yl)-N-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID108509442
Molecular FormulaC19H13F3N2O3
Molecular Weight374.32 g/mol
Exact Mass374.09
IUPAC NameN'-(5-hydroxynaphthalen-1-yl)-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C19H13F3N2O3/c20-19(21,22)11-7-9-12(10-8-11)23-17(26)18(27)24-15-5-1-4-14-13(15)3-2-6-16(14)25/h1-10,25H,(H,23,26)(H,24,27)
InChIKeyJKFPGQXLDYELFS-UHFFFAOYSA-N
XLogP4.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-anilinophenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509324
N'-(5-hydroxynaphthalen-1-yl)-N-(2-hydroxyphenyl)oxamide
CID 108509252
N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 44998950
N'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108522806
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
N-(3-acetylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509256
N-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide
CID 108514330
N'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108532679
2-hydroxy-1-N,3-N-bis[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 155920070
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
N-(5-hydroxynaphthalen-1-yl)-2,2-dimethylpropanamide
CID 64590909
2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide
CID 17071374

Frequently Asked Questions

What is the IUPAC name of N'-(5-hydroxynaphthalen-1-yl)-N-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-(5-hydroxynaphthalen-1-yl)-N-[4-(trifluoromethyl)phenyl]oxamide (CID 108509442) is N'-(5-hydroxynaphthalen-1-yl)-N-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-(5-hydroxynaphthalen-1-yl)-N-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-(5-hydroxynaphthalen-1-yl)-N-[4-(trifluoromethyl)phenyl]oxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc2c(O)cccc12.
What is the InChIKey of N'-(5-hydroxynaphthalen-1-yl)-N-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is JKFPGQXLDYELFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O3/c20-19(21,22)11-7-9-12(10-8-11)23-17(26)18(27)24-15-5-1-4-14-13(15)3-2-6-16(14)25/h1-10,25H,(H,23,26)(H,24,27).
What are the key properties of N'-(5-hydroxynaphthalen-1-yl)-N-[4-(trifluoromethyl)phenyl]oxamide?
N'-(5-hydroxynaphthalen-1-yl)-N-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 374.32 g/mol, XLogP of 4.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-hydroxynaphthalen-1-yl)-N-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 108509442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).