N-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoyl-N'-(4-methoxy-3-pyrazin-2-ylphenyl)propanediamide;molecular hydrogen

C24H25F2N5O3 — CID 155721712

IUPACN-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoyl-N'-(4-methoxy-3-pyrazin-2-ylphenyl)propanediamide;molecular hydrogen
SMILES[H]/N=C(\C)C(C(=O)Nc1cccc(C(C)(F)F)c1)C(=O)Nc1ccc(OC)c(-c2cnccn2)c1.[H][H]
InChIInChI=1S/C24H23F2N5O3.H2/c1-14(27)21(22(32)30-16-6-4-5-15(11-16)24(2,25)26)23(33)31-17-7-8-20(34-3)18(12-17)19-13-28-9-10-29-19;/h4-13,21,27H,1-3H3,(H,30,32)(H,31,33);1H/b27-14+;
InChIKeyUMAMVAQIEQJIOJ-RRIBZKRYSA-N
MW469.49 g/mol
LogP4.74
Rot. Bonds8

About N-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoyl-N'-(4-methoxy-3-pyrazin-2-ylphenyl)propanediamide;molecular hydrogen

N-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoyl-N'-(4-methoxy-3-pyrazin-2-ylphenyl)propanediamide;molecular hydrogen (PubChem CID 155721712) has the molecular formula C24H25F2N5O3 and a molecular weight of 469.49 g/mol. Its IUPAC name is N-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoyl-N'-(4-methoxy-3-pyrazin-2-ylphenyl)propanediamide;molecular hydrogen.

Molecular Properties

Compound NameN-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoyl-N'-(4-methoxy-3-pyrazin-2-ylphenyl)propanediamide;molecular hydrogen
PubChem CID155721712
Molecular FormulaC24H25F2N5O3
Molecular Weight469.49 g/mol
Exact Mass469.19
IUPAC NameN-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoyl-N'-(4-methoxy-3-pyrazin-2-ylphenyl)propanediamide;molecular hydrogen
SMILES[H]/N=C(\C)C(C(=O)Nc1cccc(C(C)(F)F)c1)C(=O)Nc1ccc(OC)c(-c2cnccn2)c1.[H][H]
InChIInChI=1S/C24H23F2N5O3.H2/c1-14(27)21(22(32)30-16-6-4-5-15(11-16)24(2,25)26)23(33)31-17-7-8-20(34-3)18(12-17)19-13-28-9-10-29-19;/h4-13,21,27H,1-3H3,(H,30,32)(H,31,33);1H/b27-14+;
InChIKeyUMAMVAQIEQJIOJ-RRIBZKRYSA-N
XLogP4.74
TPSA117.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-N'-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoylpropanediamide
CID 165163846
(3Z)-3-[amino-(4-methoxy-3-pyridin-2-ylphenyl)hydrazinylidene]-N-[3-(1,1-difluoroethyl)phenyl]-2-formylbutanamide
CID 174262293
2-ethanimidoyl-N-phenyl-N'-(3-pyridin-4-ylphenyl)propanediamide
CID 176781456
5-(2-aminoquinazolin-6-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58829955
N-[3-(1,1-difluoroethyl)phenyl]-2-hydroxyacetamide
CID 126784306
3-(1,1-difluoroethyl)-N-(3-iminobutan-2-yl)benzamide
CID 155303825
1-[3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 11654406
3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337430
N-[3-(1,1-difluoroethyl)phenyl]-5-ethyl-1-[4-(1-fluoroethoxy)-3-pyridin-3-ylphenyl]-3-methylpyrazole-4-carboxamide
CID 155721515
[2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
CID 17362444
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
(2R)-2-(2-methoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 40745730

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoyl-N'-(4-methoxy-3-pyrazin-2-ylphenyl)propanediamide;molecular hydrogen?
The IUPAC name of N-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoyl-N'-(4-methoxy-3-pyrazin-2-ylphenyl)propanediamide;molecular hydrogen (CID 155721712) is N-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoyl-N'-(4-methoxy-3-pyrazin-2-ylphenyl)propanediamide;molecular hydrogen.
What is the SMILES notation for N-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoyl-N'-(4-methoxy-3-pyrazin-2-ylphenyl)propanediamide;molecular hydrogen?
The canonical SMILES for N-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoyl-N'-(4-methoxy-3-pyrazin-2-ylphenyl)propanediamide;molecular hydrogen is [H]/N=C(\C)C(C(=O)Nc1cccc(C(C)(F)F)c1)C(=O)Nc1ccc(OC)c(-c2cnccn2)c1.[H][H].
What is the InChIKey of N-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoyl-N'-(4-methoxy-3-pyrazin-2-ylphenyl)propanediamide;molecular hydrogen?
The InChIKey is UMAMVAQIEQJIOJ-RRIBZKRYSA-N. The full InChI is InChI=1S/C24H23F2N5O3.H2/c1-14(27)21(22(32)30-16-6-4-5-15(11-16)24(2,25)26)23(33)31-17-7-8-20(34-3)18(12-17)19-13-28-9-10-29-19;/h4-13,21,27H,1-3H3,(H,30,32)(H,31,33);1H/b27-14+;.
What are the key properties of N-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoyl-N'-(4-methoxy-3-pyrazin-2-ylphenyl)propanediamide;molecular hydrogen?
N-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoyl-N'-(4-methoxy-3-pyrazin-2-ylphenyl)propanediamide;molecular hydrogen has a molecular weight of 469.49 g/mol, XLogP of 4.74, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoyl-N'-(4-methoxy-3-pyrazin-2-ylphenyl)propanediamide;molecular hydrogen is sourced from PubChem (CID 155721712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).