6-hydroxy-5-methyl-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

C19H14F3NO2 — CID 59937411

IUPAC6-hydroxy-5-methyl-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
SMILESCc1c(O)ccc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc12
InChIInChI=1S/C19H14F3NO2/c1-11-16-7-5-13(9-12(16)6-8-17(11)24)18(25)23-15-4-2-3-14(10-15)19(20,21)22/h2-10,24H,1H3,(H,23,25)
InChIKeyIEKKBLFNSZGBPD-UHFFFAOYSA-N
MW345.32 g/mol
LogP5.12
Rot. Bonds2

About 6-hydroxy-5-methyl-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

6-hydroxy-5-methyl-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (PubChem CID 59937411) has the molecular formula C19H14F3NO2 and a molecular weight of 345.32 g/mol. Its IUPAC name is 6-hydroxy-5-methyl-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-hydroxy-5-methyl-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
PubChem CID59937411
Molecular FormulaC19H14F3NO2
Molecular Weight345.32 g/mol
Exact Mass345.10
IUPAC Name6-hydroxy-5-methyl-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
SMILESCc1c(O)ccc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc12
InChIInChI=1S/C19H14F3NO2/c1-11-16-7-5-13(9-12(16)6-8-17(11)24)18(25)23-15-4-2-3-14(10-15)19(20,21)22/h2-10,24H,1H3,(H,23,25)
InChIKeyIEKKBLFNSZGBPD-UHFFFAOYSA-N
XLogP5.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.32
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 103955327
2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide
CID 68648982
4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107073831
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 24823425
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 68505609
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methyl-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of 6-hydroxy-5-methyl-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (CID 59937411) is 6-hydroxy-5-methyl-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-hydroxy-5-methyl-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-hydroxy-5-methyl-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is Cc1c(O)ccc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc12.
What is the InChIKey of 6-hydroxy-5-methyl-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is IEKKBLFNSZGBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2/c1-11-16-7-5-13(9-12(16)6-8-17(11)24)18(25)23-15-4-2-3-14(10-15)19(20,21)22/h2-10,24H,1H3,(H,23,25).
What are the key properties of 6-hydroxy-5-methyl-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
6-hydroxy-5-methyl-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 345.32 g/mol, XLogP of 5.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methyl-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 59937411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).