N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,5-difluorobenzamide

C18H17F2N3O — CID 53144971

IUPACN-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,5-difluorobenzamide
SMILESCCn1cc(CCNC(=O)c2cc(F)ccc2F)c2cccnc21
InChIInChI=1S/C18H17F2N3O/c1-2-23-11-12(14-4-3-8-21-17(14)23)7-9-22-18(24)15-10-13(19)5-6-16(15)20/h3-6,8,10-11H,2,7,9H2,1H3,(H,22,24)
InChIKeyZWNJALNTFFEGRI-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.31
Rot. Bonds5

About N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,5-difluorobenzamide

N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,5-difluorobenzamide (PubChem CID 53144971) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,5-difluorobenzamide
PubChem CID53144971
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC NameN-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,5-difluorobenzamide
SMILESCCn1cc(CCNC(=O)c2cc(F)ccc2F)c2cccnc21
InChIInChI=1S/C18H17F2N3O/c1-2-23-11-12(14-4-3-8-21-17(14)23)7-9-22-18(24)15-10-13(19)5-6-16(15)20/h3-6,8,10-11H,2,7,9H2,1H3,(H,22,24)
InChIKeyZWNJALNTFFEGRI-UHFFFAOYSA-N
XLogP3.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-fluoro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzamide
CID 53145176
1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-(3-fluoro-2-methylphenyl)urea
CID 53144570
N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide
CID 53144995
2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 53145109
6-chloro-N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 53144962
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 53145112
N-(2,4-difluorophenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144316
1-[(2R)-butan-2-yl]-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 95095604
2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide
CID 53145144
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide
CID 53145138
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 53145099
2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide
CID 53145002

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,5-difluorobenzamide?
The IUPAC name of N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,5-difluorobenzamide (CID 53144971) is N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,5-difluorobenzamide is CCn1cc(CCNC(=O)c2cc(F)ccc2F)c2cccnc21.
What is the InChIKey of N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,5-difluorobenzamide?
The InChIKey is ZWNJALNTFFEGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O/c1-2-23-11-12(14-4-3-8-21-17(14)23)7-9-22-18(24)15-10-13(19)5-6-16(15)20/h3-6,8,10-11H,2,7,9H2,1H3,(H,22,24).
What are the key properties of N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,5-difluorobenzamide?
N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,5-difluorobenzamide has a molecular weight of 329.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,5-difluorobenzamide is sourced from PubChem (CID 53144971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).