N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide

C20H17F2N3O — CID 113037616

IUPACN-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C20H17F2N3O/c1-13-4-2-3-5-14(13)10-20(26)25-19-9-7-16(12-23-19)24-15-6-8-17(21)18(22)11-15/h2-9,11-12,24H,10H2,1H3,(H,23,25,26)
InChIKeyWWFYBOLONFNMMX-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.59
Rot. Bonds5

About N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide

N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide (PubChem CID 113037616) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
PubChem CID113037616
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC NameN-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C20H17F2N3O/c1-13-4-2-3-5-14(13)10-20(26)25-19-9-7-16(12-23-19)24-15-6-8-17(21)18(22)11-15/h2-9,11-12,24H,10H2,1H3,(H,23,25,26)
InChIKeyWWFYBOLONFNMMX-UHFFFAOYSA-N
XLogP4.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113023246
N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113031347
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113035538
N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 6464449
N-[5-(3-chloroanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113033314
5-(3,4-difluoroanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280085
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113033580
N-[5-(cyclopropylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113023745
2-(2-methylphenyl)-N-[5-(2-methylpropylamino)-2-pyridinyl]acetamide
CID 113024145
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 79729951
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113024277
2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide
CID 113031585

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide (CID 113037616) is N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)Nc1ccc(Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide?
The InChIKey is WWFYBOLONFNMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c1-13-4-2-3-5-14(13)10-20(26)25-19-9-7-16(12-23-19)24-15-6-8-17(21)18(22)11-15/h2-9,11-12,24H,10H2,1H3,(H,23,25,26).
What are the key properties of N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide?
N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide has a molecular weight of 353.37 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 113037616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).