2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide

C18H19F2NO3 — CID 112765648

IUPAC2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide
SMILESCCCc1ccc(NC(=O)c2cccc(OC)c2OC(F)F)cc1
InChIInChI=1S/C18H19F2NO3/c1-3-5-12-8-10-13(11-9-12)21-17(22)14-6-4-7-15(23-2)16(14)24-18(19)20/h4,6-11,18H,3,5H2,1-2H3,(H,21,22)
InChIKeyGZVRMXYSEHWNGK-UHFFFAOYSA-N
MW335.35 g/mol
LogP4.50
Rot. Bonds7

About 2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide

2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide (PubChem CID 112765648) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide
PubChem CID112765648
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC Name2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide
SMILESCCCc1ccc(NC(=O)c2cccc(OC)c2OC(F)F)cc1
InChIInChI=1S/C18H19F2NO3/c1-3-5-12-8-10-13(11-9-12)21-17(22)14-6-4-7-15(23-2)16(14)24-18(19)20/h4,6-11,18H,3,5H2,1-2H3,(H,21,22)
InChIKeyGZVRMXYSEHWNGK-UHFFFAOYSA-N
XLogP4.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-N-(3-ethylphenyl)-3-methoxybenzamide
CID 51143865
N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide
CID 55505645
N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 51148287
2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide
CID 112762767
2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide
CID 51149413
N-(4-butylphenyl)-2,3,4-trimethoxybenzamide
CID 9442096
N-[4-(4-bromophenyl)butan-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 60566470
N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide
CID 51147930
2-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 55342317
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
N-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 55331140
N-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 55551005

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide?
The IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide (CID 112765648) is 2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide?
The canonical SMILES for 2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide is CCCc1ccc(NC(=O)c2cccc(OC)c2OC(F)F)cc1.
What is the InChIKey of 2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide?
The InChIKey is GZVRMXYSEHWNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c1-3-5-12-8-10-13(11-9-12)21-17(22)14-6-4-7-15(23-2)16(14)24-18(19)20/h4,6-11,18H,3,5H2,1-2H3,(H,21,22).
What are the key properties of 2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide?
2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide has a molecular weight of 335.35 g/mol, XLogP of 4.50, 7 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-(4-propylphenyl)benzamide is sourced from PubChem (CID 112765648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).