N-[6-(trifluoromethyl)naphthalen-2-yl]propanamide

C14H12F3NO — CID 54419998

IUPACN-[6-(trifluoromethyl)naphthalen-2-yl]propanamide
SMILESCCC(=O)Nc1ccc2cc(C(F)(F)F)ccc2c1
InChIInChI=1S/C14H12F3NO/c1-2-13(19)18-12-6-4-9-7-11(14(15,16)17)5-3-10(9)8-12/h3-8H,2H2,1H3,(H,18,19)
InChIKeyWACVCBPLXDRAJD-UHFFFAOYSA-N
MW267.25 g/mol
LogP4.21
Rot. Bonds2

About N-[6-(trifluoromethyl)naphthalen-2-yl]propanamide

N-[6-(trifluoromethyl)naphthalen-2-yl]propanamide (PubChem CID 54419998) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is N-[6-(trifluoromethyl)naphthalen-2-yl]propanamide.

Molecular Properties

Compound NameN-[6-(trifluoromethyl)naphthalen-2-yl]propanamide
PubChem CID54419998
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC NameN-[6-(trifluoromethyl)naphthalen-2-yl]propanamide
SMILESCCC(=O)Nc1ccc2cc(C(F)(F)F)ccc2c1
InChIInChI=1S/C14H12F3NO/c1-2-13(19)18-12-6-4-9-7-11(14(15,16)17)5-3-10(9)8-12/h3-8H,2H2,1H3,(H,18,19)
InChIKeyWACVCBPLXDRAJD-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
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CID 4285365
N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide
CID 112556165
N-(2,3-dimethylquinoxalin-6-yl)propanamide
CID 110723790
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
N-(5-hydroxynaphthalen-2-yl)propanamide
CID 137348573
methyl 3-oxo-3-[4-[4-(trifluoromethyl)phenoxy]anilino]propanoate
CID 169084967
2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide
CID 146415877
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide
CID 113035471
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CID 7467598

Frequently Asked Questions

What is the IUPAC name of N-[6-(trifluoromethyl)naphthalen-2-yl]propanamide?
The IUPAC name of N-[6-(trifluoromethyl)naphthalen-2-yl]propanamide (CID 54419998) is N-[6-(trifluoromethyl)naphthalen-2-yl]propanamide.
What is the SMILES notation for N-[6-(trifluoromethyl)naphthalen-2-yl]propanamide?
The canonical SMILES for N-[6-(trifluoromethyl)naphthalen-2-yl]propanamide is CCC(=O)Nc1ccc2cc(C(F)(F)F)ccc2c1.
What is the InChIKey of N-[6-(trifluoromethyl)naphthalen-2-yl]propanamide?
The InChIKey is WACVCBPLXDRAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-2-13(19)18-12-6-4-9-7-11(14(15,16)17)5-3-10(9)8-12/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of N-[6-(trifluoromethyl)naphthalen-2-yl]propanamide?
N-[6-(trifluoromethyl)naphthalen-2-yl]propanamide has a molecular weight of 267.25 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(trifluoromethyl)naphthalen-2-yl]propanamide is sourced from PubChem (CID 54419998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).