N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-pyridin-2-ylbenzamide

C23H21F2N3O3 — CID 56679784

IUPACN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-pyridin-2-ylbenzamide
SMILESCOCCN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C23H21F2N3O3/c1-31-11-10-28(15-22(29)27-20-13-18(24)12-19(25)14-20)23(30)17-7-5-16(6-8-17)21-4-2-3-9-26-21/h2-9,12-14H,10-11,15H2,1H3,(H,27,29)
InChIKeyFHHWEPGQRQKFAO-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.75
Rot. Bonds8

About N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-pyridin-2-ylbenzamide

N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-pyridin-2-ylbenzamide (PubChem CID 56679784) has the molecular formula C23H21F2N3O3 and a molecular weight of 425.44 g/mol. Its IUPAC name is N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-pyridin-2-ylbenzamide
PubChem CID56679784
Molecular FormulaC23H21F2N3O3
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC NameN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-pyridin-2-ylbenzamide
SMILESCOCCN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C23H21F2N3O3/c1-31-11-10-28(15-22(29)27-20-13-18(24)12-19(25)14-20)23(30)17-7-5-16(6-8-17)21-4-2-3-9-26-21/h2-9,12-14H,10-11,15H2,1H3,(H,27,29)
InChIKeyFHHWEPGQRQKFAO-UHFFFAOYSA-N
XLogP3.75
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-pyridin-2-ylbenzamide?
The IUPAC name of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-pyridin-2-ylbenzamide (CID 56679784) is N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-pyridin-2-ylbenzamide is COCCN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-pyridin-2-ylbenzamide?
The InChIKey is FHHWEPGQRQKFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O3/c1-31-11-10-28(15-22(29)27-20-13-18(24)12-19(25)14-20)23(30)17-7-5-16(6-8-17)21-4-2-3-9-26-21/h2-9,12-14H,10-11,15H2,1H3,(H,27,29).
What are the key properties of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-pyridin-2-ylbenzamide?
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-pyridin-2-ylbenzamide has a molecular weight of 425.44 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 56679784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).