N-methyl-N-[[6-(morpholin-4-ylmethyl)naphthalen-1-yl]methyl]-4-[4-(trifluoromethyl)phenyl]benzamide

C31H29F3N2O2 — CID 69216257

IUPACN-methyl-N-[[6-(morpholin-4-ylmethyl)naphthalen-1-yl]methyl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN(Cc1cccc2cc(CN3CCOCC3)ccc12)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C31H29F3N2O2/c1-35(30(37)25-8-6-23(7-9-25)24-10-12-28(13-11-24)31(32,33)34)21-27-4-2-3-26-19-22(5-14-29(26)27)20-36-15-17-38-18-16-36/h2-14,19H,15-18,20-21H2,1H3
InChIKeyAEEVGNBMJKBDNL-UHFFFAOYSA-N
MW518.58 g/mol
LogP6.63
Rot. Bonds6

About N-methyl-N-[[6-(morpholin-4-ylmethyl)naphthalen-1-yl]methyl]-4-[4-(trifluoromethyl)phenyl]benzamide

N-methyl-N-[[6-(morpholin-4-ylmethyl)naphthalen-1-yl]methyl]-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 69216257) has the molecular formula C31H29F3N2O2 and a molecular weight of 518.58 g/mol. Its IUPAC name is N-methyl-N-[[6-(morpholin-4-ylmethyl)naphthalen-1-yl]methyl]-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[[6-(morpholin-4-ylmethyl)naphthalen-1-yl]methyl]-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID69216257
Molecular FormulaC31H29F3N2O2
Molecular Weight518.58 g/mol
Exact Mass518.22
IUPAC NameN-methyl-N-[[6-(morpholin-4-ylmethyl)naphthalen-1-yl]methyl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN(Cc1cccc2cc(CN3CCOCC3)ccc12)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C31H29F3N2O2/c1-35(30(37)25-8-6-23(7-9-25)24-10-12-28(13-11-24)31(32,33)34)21-27-4-2-3-26-19-22(5-14-29(26)27)20-36-15-17-38-18-16-36/h2-14,19H,15-18,20-21H2,1H3
InChIKeyAEEVGNBMJKBDNL-UHFFFAOYSA-N
XLogP6.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.58
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-[6-(piperidin-1-ylmethyl)naphthalen-1-yl]ethyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 69216345
N-[[6-[[ethyl(methyl)amino]methyl]naphthalen-1-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
CID 91074212
N-[[6-(azepan-1-ylmethyl)naphthalen-1-yl]methyl]-4-(4-chlorophenyl)-N-methylbenzamide
CID 69215709
N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 43908262
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 8991176
N-(isoquinolin-5-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 72862091
4-(4-cyanophenyl)-N-[[6-(ethylaminomethyl)naphthalen-1-yl]methyl]-N-methylbenzamide
CID 91313221
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
N-hydroxy-N'-methyl-2-[methyl-[4-[3-(morpholin-4-ylmethyl)phenyl]benzoyl]amino]propanediamide
CID 89448015
N-methyl-N-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 51113425

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[6-(morpholin-4-ylmethyl)naphthalen-1-yl]methyl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-methyl-N-[[6-(morpholin-4-ylmethyl)naphthalen-1-yl]methyl]-4-[4-(trifluoromethyl)phenyl]benzamide (CID 69216257) is N-methyl-N-[[6-(morpholin-4-ylmethyl)naphthalen-1-yl]methyl]-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-methyl-N-[[6-(morpholin-4-ylmethyl)naphthalen-1-yl]methyl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-methyl-N-[[6-(morpholin-4-ylmethyl)naphthalen-1-yl]methyl]-4-[4-(trifluoromethyl)phenyl]benzamide is CN(Cc1cccc2cc(CN3CCOCC3)ccc12)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-methyl-N-[[6-(morpholin-4-ylmethyl)naphthalen-1-yl]methyl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is AEEVGNBMJKBDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F3N2O2/c1-35(30(37)25-8-6-23(7-9-25)24-10-12-28(13-11-24)31(32,33)34)21-27-4-2-3-26-19-22(5-14-29(26)27)20-36-15-17-38-18-16-36/h2-14,19H,15-18,20-21H2,1H3.
What are the key properties of N-methyl-N-[[6-(morpholin-4-ylmethyl)naphthalen-1-yl]methyl]-4-[4-(trifluoromethyl)phenyl]benzamide?
N-methyl-N-[[6-(morpholin-4-ylmethyl)naphthalen-1-yl]methyl]-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 518.58 g/mol, XLogP of 6.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[6-(morpholin-4-ylmethyl)naphthalen-1-yl]methyl]-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 69216257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).