N-[3-[(naphthalen-1-ylmethylamino)methyl]-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-(trifluoromethyl)benzamide

C34H25F6N3O2 — CID 10121866

IUPACN-[3-[(naphthalen-1-ylmethylamino)methyl]-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(CNCc2cccc3ccccc23)cc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C34H25F6N3O2/c35-33(36,37)26-11-4-8-23(16-26)31(44)42-28-14-21(19-41-20-25-10-3-7-22-6-1-2-13-30(22)25)15-29(18-28)43-32(45)24-9-5-12-27(17-24)34(38,39)40/h1-18,41H,19-20H2,(H,42,44)(H,43,45)
InChIKeyWVAOYXPBUBGCHI-UHFFFAOYSA-N
MW621.58 g/mol
LogP8.67
Rot. Bonds8

About N-[3-[(naphthalen-1-ylmethylamino)methyl]-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-(trifluoromethyl)benzamide

N-[3-[(naphthalen-1-ylmethylamino)methyl]-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 10121866) has the molecular formula C34H25F6N3O2 and a molecular weight of 621.58 g/mol. Its IUPAC name is N-[3-[(naphthalen-1-ylmethylamino)methyl]-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[(naphthalen-1-ylmethylamino)methyl]-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID10121866
Molecular FormulaC34H25F6N3O2
Molecular Weight621.58 g/mol
Exact Mass621.19
IUPAC NameN-[3-[(naphthalen-1-ylmethylamino)methyl]-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(CNCc2cccc3ccccc23)cc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C34H25F6N3O2/c35-33(36,37)26-11-4-8-23(16-26)31(44)42-28-14-21(19-41-20-25-10-3-7-22-6-1-2-13-30(22)25)15-29(18-28)43-32(45)24-9-5-12-27(17-24)34(38,39)40/h1-18,41H,19-20H2,(H,42,44)(H,43,45)
InChIKeyWVAOYXPBUBGCHI-UHFFFAOYSA-N
XLogP8.67
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.58
LogP ≤ 58.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(naphthalen-1-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 142157476
methyl 3-[(2-methylpropanoylamino)methyl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzoate
CID 25293358
N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide
CID 86646005
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54841601
4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide
CID 27654804
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-(naphthalen-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 135159119
3-[[2-(2-chlorophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18289509
N-dibenzofuran-3-yl-3-(trifluoromethyl)benzamide
CID 2876758
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844505
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746

Frequently Asked Questions

What is the IUPAC name of N-[3-[(naphthalen-1-ylmethylamino)methyl]-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[(naphthalen-1-ylmethylamino)methyl]-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-(trifluoromethyl)benzamide (CID 10121866) is N-[3-[(naphthalen-1-ylmethylamino)methyl]-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[(naphthalen-1-ylmethylamino)methyl]-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[(naphthalen-1-ylmethylamino)methyl]-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1cc(CNCc2cccc3ccccc23)cc(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[(naphthalen-1-ylmethylamino)methyl]-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is WVAOYXPBUBGCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25F6N3O2/c35-33(36,37)26-11-4-8-23(16-26)31(44)42-28-14-21(19-41-20-25-10-3-7-22-6-1-2-13-30(22)25)15-29(18-28)43-32(45)24-9-5-12-27(17-24)34(38,39)40/h1-18,41H,19-20H2,(H,42,44)(H,43,45).
What are the key properties of N-[3-[(naphthalen-1-ylmethylamino)methyl]-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-(trifluoromethyl)benzamide?
N-[3-[(naphthalen-1-ylmethylamino)methyl]-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 621.58 g/mol, XLogP of 8.67, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(naphthalen-1-ylmethylamino)methyl]-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 10121866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).