N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide

C18H19F2NO4 — CID 2467684

IUPACN-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1OCC
InChIInChI=1S/C18H19F2NO4/c1-3-23-15-10-5-12(11-16(15)24-4-2)17(22)21-13-6-8-14(9-7-13)25-18(19)20/h5-11,18H,3-4H2,1-2H3,(H,21,22)
InChIKeyMMVCPDPDLBICLL-UHFFFAOYSA-N
MW351.35 g/mol
LogP4.34
Rot. Bonds8

About N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide

N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide (PubChem CID 2467684) has the molecular formula C18H19F2NO4 and a molecular weight of 351.35 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
PubChem CID2467684
Molecular FormulaC18H19F2NO4
Molecular Weight351.35 g/mol
Exact Mass351.13
IUPAC NameN-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1OCC
InChIInChI=1S/C18H19F2NO4/c1-3-23-15-10-5-12(11-16(15)24-4-2)17(22)21-13-6-8-14(9-7-13)25-18(19)20/h5-11,18H,3-4H2,1-2H3,(H,21,22)
InChIKeyMMVCPDPDLBICLL-UHFFFAOYSA-N
XLogP4.34
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide (CID 2467684) is N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1OCC.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide?
The InChIKey is MMVCPDPDLBICLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO4/c1-3-23-15-10-5-12(11-16(15)24-4-2)17(22)21-13-6-8-14(9-7-13)25-18(19)20/h5-11,18H,3-4H2,1-2H3,(H,21,22).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide?
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide has a molecular weight of 351.35 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 2467684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).