N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide

C17H17F2NO3 — CID 51159004

IUPACN-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1OC(C)C
InChIInChI=1S/C17H17F2NO3/c1-10(2)23-15-7-4-11(8-16(15)22-3)17(21)20-12-5-6-13(18)14(19)9-12/h4-10H,1-3H3,(H,20,21)
InChIKeyVZFKWQAMVBKQMS-UHFFFAOYSA-N
MW321.32 g/mol
LogP4.01
Rot. Bonds5

About N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide

N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide (PubChem CID 51159004) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
PubChem CID51159004
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC NameN-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1OC(C)C
InChIInChI=1S/C17H17F2NO3/c1-10(2)23-15-7-4-11(8-16(15)22-3)17(21)20-12-5-6-13(18)14(19)9-12/h4-10H,1-3H3,(H,20,21)
InChIKeyVZFKWQAMVBKQMS-UHFFFAOYSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide
CID 26435232
N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide
CID 64781635
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2980923
N-[4-(3,4-dimethoxyanilino)phenyl]-3,4-difluorobenzamide
CID 112988010
N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
3-methoxy-N-(4-methyl-3-sulfamoylphenyl)-4-propan-2-yloxybenzamide
CID 46520822
1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043255
3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 39395082
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178406

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide (CID 51159004) is N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide is COc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1OC(C)C.
What is the InChIKey of N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide?
The InChIKey is VZFKWQAMVBKQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-10(2)23-15-7-4-11(8-16(15)22-3)17(21)20-12-5-6-13(18)14(19)9-12/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide?
N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide has a molecular weight of 321.32 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide is sourced from PubChem (CID 51159004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).