N-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide

C20H23F2NO4 — CID 8502589

IUPACN-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(OC(F)F)cc2)ccc1OCC(C)C
InChIInChI=1S/C20H23F2NO4/c1-4-25-18-11-14(5-10-17(18)26-12-13(2)3)19(24)23-15-6-8-16(9-7-15)27-20(21)22/h5-11,13,20H,4,12H2,1-3H3,(H,23,24)
InChIKeyJFGIWCUIQYTLAG-UHFFFAOYSA-N
MW379.40 g/mol
LogP4.97
Rot. Bonds9

About N-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide

N-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide (PubChem CID 8502589) has the molecular formula C20H23F2NO4 and a molecular weight of 379.40 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide
PubChem CID8502589
Molecular FormulaC20H23F2NO4
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC NameN-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(OC(F)F)cc2)ccc1OCC(C)C
InChIInChI=1S/C20H23F2NO4/c1-4-25-18-11-14(5-10-17(18)26-12-13(2)3)19(24)23-15-6-8-16(9-7-15)27-20(21)22/h5-11,13,20H,4,12H2,1-3H3,(H,23,24)
InChIKeyJFGIWCUIQYTLAG-UHFFFAOYSA-N
XLogP4.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 2549012
N-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9096664
4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
CID 3461612
N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9095687
4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 9179771
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 29155297
3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide
CID 9413695
4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219582
[4-[(4-chlorobenzoyl)amino]phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 2532367
3-ethoxy-4-(2-methylpropoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8747644
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide (CID 8502589) is N-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide is CCOc1cc(C(=O)Nc2ccc(OC(F)F)cc2)ccc1OCC(C)C.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide?
The InChIKey is JFGIWCUIQYTLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO4/c1-4-25-18-11-14(5-10-17(18)26-12-13(2)3)19(24)23-15-6-8-16(9-7-15)27-20(21)22/h5-11,13,20H,4,12H2,1-3H3,(H,23,24).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide?
N-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide has a molecular weight of 379.40 g/mol, XLogP of 4.97, 9 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-ethoxy-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 8502589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).