2-[4-[(E)-N-(cyclopropylmethoxy)-C-[6-(difluoromethoxy)-2,3-difluorophenyl]carbonimidoyl]phenyl]acetamide

C20H18F4N2O3 — CID 140556772

IUPAC2-[4-[(E)-N-(cyclopropylmethoxy)-C-[6-(difluoromethoxy)-2,3-difluorophenyl]carbonimidoyl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(/C(=N\OCC2CC2)c2c(OC(F)F)ccc(F)c2F)cc1
InChIInChI=1S/C20H18F4N2O3/c21-14-7-8-15(29-20(23)24)17(18(14)22)19(26-28-10-12-1-2-12)13-5-3-11(4-6-13)9-16(25)27/h3-8,12,20H,1-2,9-10H2,(H2,25,27)/b26-19+
InChIKeyUVOPUMJNEWLDAB-LGUFXXKBSA-N
MW410.37 g/mol
LogP3.77
Rot. Bonds9

About 2-[4-[(E)-N-(cyclopropylmethoxy)-C-[6-(difluoromethoxy)-2,3-difluorophenyl]carbonimidoyl]phenyl]acetamide

2-[4-[(E)-N-(cyclopropylmethoxy)-C-[6-(difluoromethoxy)-2,3-difluorophenyl]carbonimidoyl]phenyl]acetamide (PubChem CID 140556772) has the molecular formula C20H18F4N2O3 and a molecular weight of 410.37 g/mol. Its IUPAC name is 2-[4-[(E)-N-(cyclopropylmethoxy)-C-[6-(difluoromethoxy)-2,3-difluorophenyl]carbonimidoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(E)-N-(cyclopropylmethoxy)-C-[6-(difluoromethoxy)-2,3-difluorophenyl]carbonimidoyl]phenyl]acetamide
PubChem CID140556772
Molecular FormulaC20H18F4N2O3
Molecular Weight410.37 g/mol
Exact Mass410.13
IUPAC Name2-[4-[(E)-N-(cyclopropylmethoxy)-C-[6-(difluoromethoxy)-2,3-difluorophenyl]carbonimidoyl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(/C(=N\OCC2CC2)c2c(OC(F)F)ccc(F)c2F)cc1
InChIInChI=1S/C20H18F4N2O3/c21-14-7-8-15(29-20(23)24)17(18(14)22)19(26-28-10-12-1-2-12)13-5-3-11(4-6-13)9-16(25)27/h3-8,12,20H,1-2,9-10H2,(H2,25,27)/b26-19+
InChIKeyUVOPUMJNEWLDAB-LGUFXXKBSA-N
XLogP3.77
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-N-(cyclopropylmethoxy)-C-[6-(difluoromethoxy)-2,3-difluorophenyl]carbonimidoyl]phenyl]acetamide?
The IUPAC name of 2-[4-[(E)-N-(cyclopropylmethoxy)-C-[6-(difluoromethoxy)-2,3-difluorophenyl]carbonimidoyl]phenyl]acetamide (CID 140556772) is 2-[4-[(E)-N-(cyclopropylmethoxy)-C-[6-(difluoromethoxy)-2,3-difluorophenyl]carbonimidoyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(E)-N-(cyclopropylmethoxy)-C-[6-(difluoromethoxy)-2,3-difluorophenyl]carbonimidoyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[(E)-N-(cyclopropylmethoxy)-C-[6-(difluoromethoxy)-2,3-difluorophenyl]carbonimidoyl]phenyl]acetamide is NC(=O)Cc1ccc(/C(=N\OCC2CC2)c2c(OC(F)F)ccc(F)c2F)cc1.
What is the InChIKey of 2-[4-[(E)-N-(cyclopropylmethoxy)-C-[6-(difluoromethoxy)-2,3-difluorophenyl]carbonimidoyl]phenyl]acetamide?
The InChIKey is UVOPUMJNEWLDAB-LGUFXXKBSA-N. The full InChI is InChI=1S/C20H18F4N2O3/c21-14-7-8-15(29-20(23)24)17(18(14)22)19(26-28-10-12-1-2-12)13-5-3-11(4-6-13)9-16(25)27/h3-8,12,20H,1-2,9-10H2,(H2,25,27)/b26-19+.
What are the key properties of 2-[4-[(E)-N-(cyclopropylmethoxy)-C-[6-(difluoromethoxy)-2,3-difluorophenyl]carbonimidoyl]phenyl]acetamide?
2-[4-[(E)-N-(cyclopropylmethoxy)-C-[6-(difluoromethoxy)-2,3-difluorophenyl]carbonimidoyl]phenyl]acetamide has a molecular weight of 410.37 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-N-(cyclopropylmethoxy)-C-[6-(difluoromethoxy)-2,3-difluorophenyl]carbonimidoyl]phenyl]acetamide is sourced from PubChem (CID 140556772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).