N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide

C21H16F2N4O — CID 113036437

IUPACN-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C21H16F2N4O/c22-14-5-7-19(17(23)10-14)26-15-6-8-20(25-12-15)27-21(28)9-13-11-24-18-4-2-1-3-16(13)18/h1-8,10-12,24,26H,9H2,(H,25,27,28)
InChIKeyJRSDMBZSZGWLHI-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.77
Rot. Bonds5

About N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide

N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 113036437) has the molecular formula C21H16F2N4O and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide
PubChem CID113036437
Molecular FormulaC21H16F2N4O
Molecular Weight378.38 g/mol
Exact Mass378.13
IUPAC NameN-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C21H16F2N4O/c22-14-5-7-19(17(23)10-14)26-15-6-8-20(25-12-15)27-21(28)9-13-11-24-18-4-2-1-3-16(13)18/h1-8,10-12,24,26H,9H2,(H,25,27,28)
InChIKeyJRSDMBZSZGWLHI-UHFFFAOYSA-N
XLogP4.77
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide
CID 113023581
N-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113018608
6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159765
N-[6-(cyclopropylamino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113009220
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113017273
N-[6-(2-ethoxyanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113019606
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113047833
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113036450
3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide
CID 113028912
N'-[2-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 31905428
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide
CID 113036420
5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198992

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide (CID 113036437) is N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2ccc(F)cc2F)cn1.
What is the InChIKey of N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is JRSDMBZSZGWLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O/c22-14-5-7-19(17(23)10-14)26-15-6-8-20(25-12-15)27-21(28)9-13-11-24-18-4-2-1-3-16(13)18/h1-8,10-12,24,26H,9H2,(H,25,27,28).
What are the key properties of N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide?
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 378.38 g/mol, XLogP of 4.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 113036437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).