N-[3-(naphthalen-1-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide

C25H18F3NO2 — CID 142157476

IUPACN-[3-(naphthalen-1-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(OCc2cccc3ccccc23)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H18F3NO2/c26-25(27,28)20-10-4-8-18(14-20)24(30)29-21-11-5-12-22(15-21)31-16-19-9-3-7-17-6-1-2-13-23(17)19/h1-15H,16H2,(H,29,30)
InChIKeyFHAKOWBZKVHZJV-UHFFFAOYSA-N
MW421.42 g/mol
LogP6.69
Rot. Bonds5

About N-[3-(naphthalen-1-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide

N-[3-(naphthalen-1-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 142157476) has the molecular formula C25H18F3NO2 and a molecular weight of 421.42 g/mol. Its IUPAC name is N-[3-(naphthalen-1-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(naphthalen-1-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID142157476
Molecular FormulaC25H18F3NO2
Molecular Weight421.42 g/mol
Exact Mass421.13
IUPAC NameN-[3-(naphthalen-1-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(OCc2cccc3ccccc23)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H18F3NO2/c26-25(27,28)20-10-4-8-18(14-20)24(30)29-21-11-5-12-22(15-21)31-16-19-9-3-7-17-6-1-2-13-23(17)19/h1-15H,16H2,(H,29,30)
InChIKeyFHAKOWBZKVHZJV-UHFFFAOYSA-N
XLogP6.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.42
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(naphthalen-1-ylmethylamino)methyl]-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 10121866
3-methoxy-N-[3-[[[3-(trifluoromethyl)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 126228131
3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639289
3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167969
N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 91610384
3-[(2-chlorophenyl)methoxy]-N-(3-methoxyphenyl)benzamide
CID 30155561
3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54841601
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844584
3-[[2-(2-chlorophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18289509
2-naphthalen-1-yl-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide
CID 90575902
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424

Frequently Asked Questions

What is the IUPAC name of N-[3-(naphthalen-1-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(naphthalen-1-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide (CID 142157476) is N-[3-(naphthalen-1-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(naphthalen-1-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(naphthalen-1-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(OCc2cccc3ccccc23)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(naphthalen-1-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is FHAKOWBZKVHZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3NO2/c26-25(27,28)20-10-4-8-18(14-20)24(30)29-21-11-5-12-22(15-21)31-16-19-9-3-7-17-6-1-2-13-23(17)19/h1-15H,16H2,(H,29,30).
What are the key properties of N-[3-(naphthalen-1-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide?
N-[3-(naphthalen-1-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 421.42 g/mol, XLogP of 6.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(naphthalen-1-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 142157476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).