2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide

C16H16FN3O — CID 171334962

IUPAC2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCc3cccnc32)cc1F
InChIInChI=1S/C16H16FN3O/c1-11-4-5-13(9-14(11)17)19-15(21)10-20-8-6-12-3-2-7-18-16(12)20/h2-5,7,9H,6,8,10H2,1H3,(H,19,21)
InChIKeyVHVFWKOCTKTKCH-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.53
Rot. Bonds3

About 2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide

2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 171334962) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID171334962
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCc3cccnc32)cc1F
InChIInChI=1S/C16H16FN3O/c1-11-4-5-13(9-14(11)17)19-15(21)10-20-8-6-12-3-2-7-18-16(12)20/h2-5,7,9H,6,8,10H2,1H3,(H,19,21)
InChIKeyVHVFWKOCTKTKCH-UHFFFAOYSA-N
XLogP2.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)acetyl]amino]benzoate
CID 171701488
N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9210623
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4566699
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9435782
2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53035820
2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 2099416
2-[2-(4-ethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53035802
2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53196498
2-(ethylamino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 60641239
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 119933635
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 2099393
N-(3-fluoro-4-methylphenyl)-2-quinolin-8-yloxyacetamide
CID 7893982

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide (CID 171334962) is 2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCc3cccnc32)cc1F.
What is the InChIKey of 2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is VHVFWKOCTKTKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-11-4-5-13(9-14(11)17)19-15(21)10-20-8-6-12-3-2-7-18-16(12)20/h2-5,7,9H,6,8,10H2,1H3,(H,19,21).
What are the key properties of 2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 285.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 171334962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).