N-[4-(difluoromethoxy)phenyl]-N'-[4-(1,1-difluoropropyl)-2-pyridinyl]-2-ethanimidoylpropanediamide

C20H20F4N4O3 — CID 176781496

IUPACN-[4-(difluoromethoxy)phenyl]-N'-[4-(1,1-difluoropropyl)-2-pyridinyl]-2-ethanimidoylpropanediamide
SMILES[H]/N=C(\C)C(C(=O)Nc1ccc(OC(F)F)cc1)C(=O)Nc1cc(C(F)(F)CC)ccn1
InChIInChI=1S/C20H20F4N4O3/c1-3-20(23,24)12-8-9-26-15(10-12)28-18(30)16(11(2)25)17(29)27-13-4-6-14(7-5-13)31-19(21)22/h4-10,16,19,25H,3H2,1-2H3,(H,27,29)(H,26,28,30)/b25-11+
InChIKeySYCYBQMPRWWDHS-OPEKNORGSA-N
MW440.40 g/mol
LogP4.42
Rot. Bonds9

About N-[4-(difluoromethoxy)phenyl]-N'-[4-(1,1-difluoropropyl)-2-pyridinyl]-2-ethanimidoylpropanediamide

N-[4-(difluoromethoxy)phenyl]-N'-[4-(1,1-difluoropropyl)-2-pyridinyl]-2-ethanimidoylpropanediamide (PubChem CID 176781496) has the molecular formula C20H20F4N4O3 and a molecular weight of 440.40 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-N'-[4-(1,1-difluoropropyl)-2-pyridinyl]-2-ethanimidoylpropanediamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-N'-[4-(1,1-difluoropropyl)-2-pyridinyl]-2-ethanimidoylpropanediamide
PubChem CID176781496
Molecular FormulaC20H20F4N4O3
Molecular Weight440.40 g/mol
Exact Mass440.15
IUPAC NameN-[4-(difluoromethoxy)phenyl]-N'-[4-(1,1-difluoropropyl)-2-pyridinyl]-2-ethanimidoylpropanediamide
SMILES[H]/N=C(\C)C(C(=O)Nc1ccc(OC(F)F)cc1)C(=O)Nc1cc(C(F)(F)CC)ccn1
InChIInChI=1S/C20H20F4N4O3/c1-3-20(23,24)12-8-9-26-15(10-12)28-18(30)16(11(2)25)17(29)27-13-4-6-14(7-5-13)31-19(21)22/h4-10,16,19,25H,3H2,1-2H3,(H,27,29)(H,26,28,30)/b25-11+
InChIKeySYCYBQMPRWWDHS-OPEKNORGSA-N
XLogP4.42
TPSA104.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.40
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-(difluoromethoxy)phenyl]-N'-[4-(1,1-difluoropropyl)-2-pyridinyl]-2-ethanimidoylpropanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-3-[[4-(difluoromethoxy)phenyl]-formylhydrazinylidene]-N-[3-(1,1-difluoropropyl)phenyl]-2-methylbutanamide
CID 155311365
2-ethanimidoyl-N-(4-ethoxyphenyl)-N'-(3-ethylphenyl)propanediamide
CID 176781455
N-[3-(1,1-difluoroethyl)phenyl]-N'-[4-(difluoromethoxy)phenyl]-2-ethanimidoyl-2-methylpropanediamide
CID 155311346
6-[4-(difluoromethoxy)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-methylpyrazine-2-carboxamide
CID 155287010
1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 110919120
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
N-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713910
2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide
CID 107471121
N-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide
CID 115627281
2-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-4-carboxamide
CID 103751880
N-[4-(difluoromethoxy)-3-(1,3-oxazol-2-yl)phenyl]-2-formyl-3-iminobutanamide
CID 174262503
N-(4-acetamidophenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 35049094

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-N'-[4-(1,1-difluoropropyl)-2-pyridinyl]-2-ethanimidoylpropanediamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-N'-[4-(1,1-difluoropropyl)-2-pyridinyl]-2-ethanimidoylpropanediamide (CID 176781496) is N-[4-(difluoromethoxy)phenyl]-N'-[4-(1,1-difluoropropyl)-2-pyridinyl]-2-ethanimidoylpropanediamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-N'-[4-(1,1-difluoropropyl)-2-pyridinyl]-2-ethanimidoylpropanediamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-N'-[4-(1,1-difluoropropyl)-2-pyridinyl]-2-ethanimidoylpropanediamide is [H]/N=C(\C)C(C(=O)Nc1ccc(OC(F)F)cc1)C(=O)Nc1cc(C(F)(F)CC)ccn1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-N'-[4-(1,1-difluoropropyl)-2-pyridinyl]-2-ethanimidoylpropanediamide?
The InChIKey is SYCYBQMPRWWDHS-OPEKNORGSA-N. The full InChI is InChI=1S/C20H20F4N4O3/c1-3-20(23,24)12-8-9-26-15(10-12)28-18(30)16(11(2)25)17(29)27-13-4-6-14(7-5-13)31-19(21)22/h4-10,16,19,25H,3H2,1-2H3,(H,27,29)(H,26,28,30)/b25-11+.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-N'-[4-(1,1-difluoropropyl)-2-pyridinyl]-2-ethanimidoylpropanediamide?
N-[4-(difluoromethoxy)phenyl]-N'-[4-(1,1-difluoropropyl)-2-pyridinyl]-2-ethanimidoylpropanediamide has a molecular weight of 440.40 g/mol, XLogP of 4.42, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-N'-[4-(1,1-difluoropropyl)-2-pyridinyl]-2-ethanimidoylpropanediamide is sourced from PubChem (CID 176781496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).