N-[2-(difluoromethoxy)phenyl]-3-propoxybenzamide

C17H17F2NO3 — CID 2067465

IUPACN-[2-(difluoromethoxy)phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccccc2OC(F)F)c1
InChIInChI=1S/C17H17F2NO3/c1-2-10-22-13-7-5-6-12(11-13)16(21)20-14-8-3-4-9-15(14)23-17(18)19/h3-9,11,17H,2,10H2,1H3,(H,20,21)
InChIKeyJMCKPMJVAWYGHL-UHFFFAOYSA-N
MW321.32 g/mol
LogP4.33
Rot. Bonds7

About N-[2-(difluoromethoxy)phenyl]-3-propoxybenzamide

N-[2-(difluoromethoxy)phenyl]-3-propoxybenzamide (PubChem CID 2067465) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-3-propoxybenzamide
PubChem CID2067465
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC NameN-[2-(difluoromethoxy)phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccccc2OC(F)F)c1
InChIInChI=1S/C17H17F2NO3/c1-2-10-22-13-7-5-6-12(11-13)16(21)20-14-8-3-4-9-15(14)23-17(18)19/h3-9,11,17H,2,10H2,1H3,(H,20,21)
InChIKeyJMCKPMJVAWYGHL-UHFFFAOYSA-N
XLogP4.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide
CID 934563
3-butoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074307
N-[2-(methanesulfonamido)phenyl]-3-propoxybenzamide
CID 51088953
N-[(2-methoxyphenyl)carbamothioyl]-3-propoxybenzamide
CID 2901874
3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 7925660
4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681
N-[2-(difluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 953096
3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide
CID 1256588
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-propoxybenzamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-propoxybenzamide (CID 2067465) is N-[2-(difluoromethoxy)phenyl]-3-propoxybenzamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-3-propoxybenzamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2ccccc2OC(F)F)c1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-3-propoxybenzamide?
The InChIKey is JMCKPMJVAWYGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-2-10-22-13-7-5-6-12(11-13)16(21)20-14-8-3-4-9-15(14)23-17(18)19/h3-9,11,17H,2,10H2,1H3,(H,20,21).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-3-propoxybenzamide?
N-[2-(difluoromethoxy)phenyl]-3-propoxybenzamide has a molecular weight of 321.32 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-3-propoxybenzamide is sourced from PubChem (CID 2067465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).