2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide

C19H15F2NO3 — CID 112762767

IUPAC2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide
SMILESCOc1cccc(C(=O)Nc2cccc3ccccc23)c1OC(F)F
InChIInChI=1S/C19H15F2NO3/c1-24-16-11-5-9-14(17(16)25-19(20)21)18(23)22-15-10-4-7-12-6-2-3-8-13(12)15/h2-11,19H,1H3,(H,22,23)
InChIKeyVMACJJFRAJOUAO-UHFFFAOYSA-N
MW343.33 g/mol
LogP4.70
Rot. Bonds5

About 2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide

2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide (PubChem CID 112762767) has the molecular formula C19H15F2NO3 and a molecular weight of 343.33 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide
PubChem CID112762767
Molecular FormulaC19H15F2NO3
Molecular Weight343.33 g/mol
Exact Mass343.10
IUPAC Name2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide
SMILESCOc1cccc(C(=O)Nc2cccc3ccccc23)c1OC(F)F
InChIInChI=1S/C19H15F2NO3/c1-24-16-11-5-9-14(17(16)25-19(20)21)18(23)22-15-10-4-7-12-6-2-3-8-13(12)15/h2-11,19H,1H3,(H,22,23)
InChIKeyVMACJJFRAJOUAO-UHFFFAOYSA-N
XLogP4.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-amino-2-oxoethyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 55670050
N-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 55331140
N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide
CID 51147930
2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide
CID 51337639
N-(5-chloro-2-methylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 51145397
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
N-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 55551005
2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide
CID 112765648
2-(difluoromethoxy)-N-(3-ethylphenyl)-3-methoxybenzamide
CID 51143865
N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 51148287
2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 51151057

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide?
The IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide (CID 112762767) is 2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide is COc1cccc(C(=O)Nc2cccc3ccccc23)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide?
The InChIKey is VMACJJFRAJOUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO3/c1-24-16-11-5-9-14(17(16)25-19(20)21)18(23)22-15-10-4-7-12-6-2-3-8-13(12)15/h2-11,19H,1H3,(H,22,23).
What are the key properties of 2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide?
2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide has a molecular weight of 343.33 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 112762767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).