N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide

C21H19F2NO3 — CID 55363194

IUPACN-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc(C(C)C(=O)Nc3ccc(OC(F)F)cc3)ccc2c1
InChIInChI=1S/C21H19F2NO3/c1-13(14-3-4-16-12-19(26-2)8-5-15(16)11-14)20(25)24-17-6-9-18(10-7-17)27-21(22)23/h3-13,21H,1-2H3,(H,24,25)
InChIKeyLWZZVQNIVWFREH-UHFFFAOYSA-N
MW371.38 g/mol
LogP5.19
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide

N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 55363194) has the molecular formula C21H19F2NO3 and a molecular weight of 371.38 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID55363194
Molecular FormulaC21H19F2NO3
Molecular Weight371.38 g/mol
Exact Mass371.13
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc(C(C)C(=O)Nc3ccc(OC(F)F)cc3)ccc2c1
InChIInChI=1S/C21H19F2NO3/c1-13(14-3-4-16-12-19(26-2)8-5-15(16)11-14)20(25)24-17-6-9-18(10-7-17)27-21(22)23/h3-13,21H,1-2H3,(H,24,25)
InChIKeyLWZZVQNIVWFREH-UHFFFAOYSA-N
XLogP5.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.38
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 26689476
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide
CID 54790188
(2S)-N-(4-hexoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 54790083
N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide
CID 17464128
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-methylphenyl)propanamide
CID 9038954
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67308427
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 54790263
N-(4-fluoro-3-nitrophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 72684236
N-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54790136
(2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 55941108
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 55941741

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide (CID 55363194) is N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide is COc1ccc2cc(C(C)C(=O)Nc3ccc(OC(F)F)cc3)ccc2c1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is LWZZVQNIVWFREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO3/c1-13(14-3-4-16-12-19(26-2)8-5-15(16)11-14)20(25)24-17-6-9-18(10-7-17)27-21(22)23/h3-13,21H,1-2H3,(H,24,25).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 371.38 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 55363194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).