2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide

C19H20ClN3O2 — CID 53145052

IUPAC2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2cn(C)c3ncccc23)c(Cl)c1
InChIInChI=1S/C19H20ClN3O2/c1-23-12-14(16-4-3-8-22-19(16)23)7-9-21-18(24)10-13-5-6-15(25-2)11-17(13)20/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,21,24)
InChIKeyCXSZCGWQBNUICC-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.14
Rot. Bonds6

About 2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide

2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide (PubChem CID 53145052) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
PubChem CID53145052
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2cn(C)c3ncccc23)c(Cl)c1
InChIInChI=1S/C19H20ClN3O2/c1-23-12-14(16-4-3-8-22-19(16)23)7-9-21-18(24)10-13-5-6-15(25-2)11-17(13)20/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,21,24)
InChIKeyCXSZCGWQBNUICC-UHFFFAOYSA-N
XLogP3.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144367
N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]but-2-ynamide
CID 146108760
1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 53144575
N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 53145071
N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 110789762
N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide
CID 53144995
2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide
CID 53145002
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162853
3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide
CID 115153007
2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide
CID 96676269
1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 53144596
1-(2-chlorophenyl)-3-[2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea
CID 53144645

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide (CID 53145052) is 2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide is COc1ccc(CC(=O)NCCc2cn(C)c3ncccc23)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
The InChIKey is CXSZCGWQBNUICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-23-12-14(16-4-3-8-22-19(16)23)7-9-21-18(24)10-13-5-6-15(25-2)11-17(13)20/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,21,24).
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide has a molecular weight of 357.84 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 53145052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).