N-[3-(methylamino)propyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

C22H21F3N2O — CID 151299396

IUPACN-[3-(methylamino)propyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
SMILESCNCCCNC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C22H21F3N2O/c1-26-12-3-13-27-21(28)17-8-11-20-16(14-17)4-2-5-19(20)15-6-9-18(10-7-15)22(23,24)25/h2,4-11,14,26H,3,12-13H2,1H3,(H,27,28)
InChIKeyOCCFRLOKFKEERT-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.86
Rot. Bonds6

About N-[3-(methylamino)propyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

N-[3-(methylamino)propyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (PubChem CID 151299396) has the molecular formula C22H21F3N2O and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
PubChem CID151299396
Molecular FormulaC22H21F3N2O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC NameN-[3-(methylamino)propyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
SMILESCNCCCNC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C22H21F3N2O/c1-26-12-3-13-27-21(28)17-8-11-20-16(14-17)4-2-5-19(20)15-6-9-18(10-7-15)22(23,24)25/h2,4-11,14,26H,3,12-13H2,1H3,(H,27,28)
InChIKeyOCCFRLOKFKEERT-UHFFFAOYSA-N
XLogP4.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylsulfonylbut-3-enyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 175159989
N-[(E)-4-methylsulfonylbut-3-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 146780230
N-[(E)-5-methylsulfonylpent-2-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 167367509
N-[1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 148790722
N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 151494065
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115395
N-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide
CID 155713246
3-iodo-N-[3-(methylamino)propyl]-5-(trifluoromethyl)benzamide
CID 119432359
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
N-[[3-[2-(nonylamino)-2-oxoethyl]phenyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 177202072

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-(methylamino)propyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (CID 151299396) is N-[3-(methylamino)propyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-(methylamino)propyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is CNCCCNC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of N-[3-(methylamino)propyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is OCCFRLOKFKEERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O/c1-26-12-3-13-27-21(28)17-8-11-20-16(14-17)4-2-5-19(20)15-6-9-18(10-7-15)22(23,24)25/h2,4-11,14,26H,3,12-13H2,1H3,(H,27,28).
What are the key properties of N-[3-(methylamino)propyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
N-[3-(methylamino)propyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 151299396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).