3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide

C22H19F2NO4 — CID 7925305

IUPAC3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)c3cccc(OC(F)F)c3)cc2)cc1
InChIInChI=1S/C22H19F2NO4/c1-2-27-17-10-12-19(13-11-17)28-18-8-6-16(7-9-18)25-21(26)15-4-3-5-20(14-15)29-22(23)24/h3-14,22H,2H2,1H3,(H,25,26)
InChIKeyGVPPVHCBMBFTPC-UHFFFAOYSA-N
MW399.39 g/mol
LogP5.73
Rot. Bonds8

About 3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide

3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide (PubChem CID 7925305) has the molecular formula C22H19F2NO4 and a molecular weight of 399.39 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
PubChem CID7925305
Molecular FormulaC22H19F2NO4
Molecular Weight399.39 g/mol
Exact Mass399.13
IUPAC Name3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)c3cccc(OC(F)F)c3)cc2)cc1
InChIInChI=1S/C22H19F2NO4/c1-2-27-17-10-12-19(13-11-17)28-18-8-6-16(7-9-18)25-21(26)15-4-3-5-20(14-15)29-22(23)24/h3-14,22H,2H2,1H3,(H,25,26)
InChIKeyGVPPVHCBMBFTPC-UHFFFAOYSA-N
XLogP5.73
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.39
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 7925214
3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide
CID 26187379
3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
CID 7925302
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
1-N-(4-ethoxyphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050601
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
O-[3-[(4-ethoxyphenyl)carbamoyl]phenyl] N-(4-ethoxyphenyl)carbamothioate
CID 1243978
1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057669
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide (CID 7925305) is 3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide is CCOc1ccc(Oc2ccc(NC(=O)c3cccc(OC(F)F)c3)cc2)cc1.
What is the InChIKey of 3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide?
The InChIKey is GVPPVHCBMBFTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO4/c1-2-27-17-10-12-19(13-11-17)28-18-8-6-16(7-9-18)25-21(26)15-4-3-5-20(14-15)29-22(23)24/h3-14,22H,2H2,1H3,(H,25,26).
What are the key properties of 3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide?
3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide has a molecular weight of 399.39 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide is sourced from PubChem (CID 7925305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).