N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide

C20H17ClFN3O — CID 113033580

IUPACN-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
SMILESCc1cc(Cl)ccc1Nc1ccc(NC(=O)Cc2ccccc2F)nc1
InChIInChI=1S/C20H17ClFN3O/c1-13-10-15(21)6-8-18(13)24-16-7-9-19(23-12-16)25-20(26)11-14-4-2-3-5-17(14)22/h2-10,12,24H,11H2,1H3,(H,23,25,26)
InChIKeyGEHUMKRHEXXQEK-UHFFFAOYSA-N
MW369.83 g/mol
LogP5.11
Rot. Bonds5

About N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide

N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide (PubChem CID 113033580) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
PubChem CID113033580
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC NameN-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
SMILESCc1cc(Cl)ccc1Nc1ccc(NC(=O)Cc2ccccc2F)nc1
InChIInChI=1S/C20H17ClFN3O/c1-13-10-15(21)6-8-18(13)24-16-7-9-19(23-12-16)25-20(26)11-14-4-2-3-5-17(14)22/h2-10,12,24H,11H2,1H3,(H,23,25,26)
InChIKeyGEHUMKRHEXXQEK-UHFFFAOYSA-N
XLogP5.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.83
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(3-chloroanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113033314
N-[5-(2-methylanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113031347
N-[5-(3,4-difluoroanilino)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113037616
2-(2-fluorophenyl)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide
CID 113034524
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113017196
2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
CID 113023074
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113017295
2-(4-chlorophenyl)-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]acetamide
CID 113027010
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113033560
N-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide
CID 113036965
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113018345
N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 6464449

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide (CID 113033580) is N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide is Cc1cc(Cl)ccc1Nc1ccc(NC(=O)Cc2ccccc2F)nc1.
What is the InChIKey of N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is GEHUMKRHEXXQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c1-13-10-15(21)6-8-18(13)24-16-7-9-19(23-12-16)25-20(26)11-14-4-2-3-5-17(14)22/h2-10,12,24H,11H2,1H3,(H,23,25,26).
What are the key properties of N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide?
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 369.83 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 113033580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).