2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide

C19H13F3N2O2 — CID 68648982

IUPAC2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide
SMILESNC(=O)c1ccc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2c1
InChIInChI=1S/C19H13F3N2O2/c20-19(21,22)15-2-1-3-16(10-15)24-18(26)13-7-5-11-4-6-12(17(23)25)8-14(11)9-13/h1-10H,(H2,23,25)(H,24,26)
InChIKeyCJGOASPZYKEFQJ-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.21
Rot. Bonds3

About 2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide

2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide (PubChem CID 68648982) has the molecular formula C19H13F3N2O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide.

Molecular Properties

Compound Name2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide
PubChem CID68648982
Molecular FormulaC19H13F3N2O2
Molecular Weight358.32 g/mol
Exact Mass358.09
IUPAC Name2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide
SMILESNC(=O)c1ccc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2c1
InChIInChI=1S/C19H13F3N2O2/c20-19(21,22)15-2-1-3-16(10-15)24-18(26)13-7-5-11-4-6-12(17(23)25)8-14(11)9-13/h1-10H,(H2,23,25)(H,24,26)
InChIKeyCJGOASPZYKEFQJ-UHFFFAOYSA-N
XLogP4.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 68505609
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107073831
6-hydroxy-5-methyl-N-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 59937411
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 165436567

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide?
The IUPAC name of 2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide (CID 68648982) is 2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide.
What is the SMILES notation for 2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide?
The canonical SMILES for 2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide is NC(=O)c1ccc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2c1.
What is the InChIKey of 2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide?
The InChIKey is CJGOASPZYKEFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O2/c20-19(21,22)15-2-1-3-16(10-15)24-18(26)13-7-5-11-4-6-12(17(23)25)8-14(11)9-13/h1-10H,(H2,23,25)(H,24,26).
What are the key properties of 2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide?
2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide has a molecular weight of 358.32 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide is sourced from PubChem (CID 68648982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).