2-(difluoromethoxy)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)anilino]ethyl]benzamide

C22H19F2N3O3 — CID 112768741

IUPAC2-(difluoromethoxy)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1OC(F)F)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C22H19F2N3O3/c23-22(24)30-19-4-2-1-3-18(19)21(29)26-14-20(28)27-17-7-5-15(6-8-17)13-16-9-11-25-12-10-16/h1-12,22H,13-14H2,(H,26,29)(H,27,28)
InChIKeyWQAPCVCBLATILD-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.64
Rot. Bonds8

About 2-(difluoromethoxy)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)anilino]ethyl]benzamide

2-(difluoromethoxy)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)anilino]ethyl]benzamide (PubChem CID 112768741) has the molecular formula C22H19F2N3O3 and a molecular weight of 411.41 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)anilino]ethyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)anilino]ethyl]benzamide
PubChem CID112768741
Molecular FormulaC22H19F2N3O3
Molecular Weight411.41 g/mol
Exact Mass411.14
IUPAC Name2-(difluoromethoxy)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1OC(F)F)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C22H19F2N3O3/c23-22(24)30-19-4-2-1-3-18(19)21(29)26-14-20(28)27-17-7-5-15(6-8-17)13-16-9-11-25-12-10-16/h1-12,22H,13-14H2,(H,26,29)(H,27,28)
InChIKeyWQAPCVCBLATILD-UHFFFAOYSA-N
XLogP3.64
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethoxy)-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide
CID 7973810
1-[2-(difluoromethoxy)benzoyl]-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 112830739
2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 42029832
2-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide
CID 9405069
2-(difluoromethoxy)-N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 9146093
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
2-(difluoromethoxy)-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 7964326
2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 78583452
2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9240904
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
2-(difluoromethoxy)-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 39977055
2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide
CID 112993143

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)anilino]ethyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)anilino]ethyl]benzamide (CID 112768741) is 2-(difluoromethoxy)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)anilino]ethyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)anilino]ethyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)anilino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1OC(F)F)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of 2-(difluoromethoxy)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)anilino]ethyl]benzamide?
The InChIKey is WQAPCVCBLATILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O3/c23-22(24)30-19-4-2-1-3-18(19)21(29)26-14-20(28)27-17-7-5-15(6-8-17)13-16-9-11-25-12-10-16/h1-12,22H,13-14H2,(H,26,29)(H,27,28).
What are the key properties of 2-(difluoromethoxy)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)anilino]ethyl]benzamide?
2-(difluoromethoxy)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)anilino]ethyl]benzamide has a molecular weight of 411.41 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)anilino]ethyl]benzamide is sourced from PubChem (CID 112768741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).