4-(3-methylbutoxy)-N-[2-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

C23H22F3NO2 — CID 162677328

IUPAC4-(3-methylbutoxy)-N-[2-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
SMILESCC(C)CCOc1cc(C(=O)Nc2ccccc2C(F)(F)F)cc2ccccc12
InChIInChI=1S/C23H22F3NO2/c1-15(2)11-12-29-21-14-17(13-16-7-3-4-8-18(16)21)22(28)27-20-10-6-5-9-19(20)23(24,25)26/h3-10,13-15H,11-12H2,1-2H3,(H,27,28)
InChIKeyLWUCRZGKWOCVPO-UHFFFAOYSA-N
MW401.43 g/mol
LogP6.54
Rot. Bonds6

About 4-(3-methylbutoxy)-N-[2-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

4-(3-methylbutoxy)-N-[2-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (PubChem CID 162677328) has the molecular formula C23H22F3NO2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N-[2-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N-[2-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
PubChem CID162677328
Molecular FormulaC23H22F3NO2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name4-(3-methylbutoxy)-N-[2-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
SMILESCC(C)CCOc1cc(C(=O)Nc2ccccc2C(F)(F)F)cc2ccccc12
InChIInChI=1S/C23H22F3NO2/c1-15(2)11-12-29-21-14-17(13-16-7-3-4-8-18(16)21)22(28)27-20-10-6-5-9-19(20)23(24,25)26/h3-10,13-15H,11-12H2,1-2H3,(H,27,28)
InChIKeyLWUCRZGKWOCVPO-UHFFFAOYSA-N
XLogP6.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.43
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-methylbutoxy)-N-[2-(trifluoromethyl)phenyl]naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N-[2-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of 4-(3-methylbutoxy)-N-[2-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (CID 162677328) is 4-(3-methylbutoxy)-N-[2-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for 4-(3-methylbutoxy)-N-[2-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for 4-(3-methylbutoxy)-N-[2-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is CC(C)CCOc1cc(C(=O)Nc2ccccc2C(F)(F)F)cc2ccccc12.
What is the InChIKey of 4-(3-methylbutoxy)-N-[2-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is LWUCRZGKWOCVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3NO2/c1-15(2)11-12-29-21-14-17(13-16-7-3-4-8-18(16)21)22(28)27-20-10-6-5-9-19(20)23(24,25)26/h3-10,13-15H,11-12H2,1-2H3,(H,27,28).
What are the key properties of 4-(3-methylbutoxy)-N-[2-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
4-(3-methylbutoxy)-N-[2-(trifluoromethyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 6.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-N-[2-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 162677328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).