N-(2,4-difluorophenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide

C17H15F2N3O — CID 53144316

IUPACN-(2,4-difluorophenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCCn1cc(CC(=O)Nc2ccc(F)cc2F)c2cccnc21
InChIInChI=1S/C17H15F2N3O/c1-2-22-10-11(13-4-3-7-20-17(13)22)8-16(23)21-15-6-5-12(18)9-14(15)19/h3-7,9-10H,2,8H2,1H3,(H,21,23)
InChIKeyQLBIRSIDWIXESU-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.52
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide

N-(2,4-difluorophenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 53144316) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID53144316
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC NameN-(2,4-difluorophenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCCn1cc(CC(=O)Nc2ccc(F)cc2F)c2cccnc21
InChIInChI=1S/C17H15F2N3O/c1-2-22-10-11(13-4-3-7-20-17(13)22)8-16(23)21-15-6-5-12(18)9-14(15)19/h3-7,9-10H,2,8H2,1H3,(H,21,23)
InChIKeyQLBIRSIDWIXESU-UHFFFAOYSA-N
XLogP3.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 53173066
1-ethyl-N-(4-fluoro-2-methylphenyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174032
N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide
CID 108956736
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 2732308
N-(4-bromo-2-fluorophenyl)-2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53007362
2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 53145109
2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 53364696
2-(2-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 113098832
N-(3-ethylphenyl)-2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide
CID 53144493
N-(2,4-difluorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide
CID 50848152
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide
CID 66414520
2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 4215969

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 53144316) is N-(2,4-difluorophenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide is CCn1cc(CC(=O)Nc2ccc(F)cc2F)c2cccnc21.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is QLBIRSIDWIXESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c1-2-22-10-11(13-4-3-7-20-17(13)22)8-16(23)21-15-6-5-12(18)9-14(15)19/h3-7,9-10H,2,8H2,1H3,(H,21,23).
What are the key properties of N-(2,4-difluorophenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-(2,4-difluorophenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 315.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 53144316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).