N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

C24H25F3N2O2 — CID 155213862

IUPACN-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESC[C@H](CCN(C)C)NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C24H25F3N2O2/c1-16(13-14-29(2)3)28-23(30)18-7-12-21-17(15-18)5-4-6-22(21)31-20-10-8-19(9-11-20)24(25,26)27/h4-12,15-16H,13-14H2,1-3H3,(H,28,30)/t16-/m1/s1
InChIKeyHLRJUGBIFHJWJM-MRXNPFEDSA-N
MW430.47 g/mol
LogP5.72
Rot. Bonds7

About N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 155213862) has the molecular formula C24H25F3N2O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
PubChem CID155213862
Molecular FormulaC24H25F3N2O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC NameN-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESC[C@H](CCN(C)C)NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C24H25F3N2O2/c1-16(13-14-29(2)3)28-23(30)18-7-12-21-17(15-18)5-4-6-22(21)31-20-10-8-19(9-11-20)24(25,26)27/h4-12,15-16H,13-14H2,1-3H3,(H,28,30)/t16-/m1/s1
InChIKeyHLRJUGBIFHJWJM-MRXNPFEDSA-N
XLogP5.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]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 N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The IUPAC name of N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 155213862) is N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is C[C@H](CCN(C)C)NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The InChIKey is HLRJUGBIFHJWJM-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H25F3N2O2/c1-16(13-14-29(2)3)28-23(30)18-7-12-21-17(15-18)5-4-6-22(21)31-20-10-8-19(9-11-20)24(25,26)27/h4-12,15-16H,13-14H2,1-3H3,(H,28,30)/t16-/m1/s1.
What are the key properties of N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(dimethylamino)butan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 155213862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).