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2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide

C17H16ClFN4O — CID 153376821

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1ccc2c(Nc3c(C)ccc(F)c3Cl)nccc21
InChIInChI=1S/C17H16ClFN4O/c1-10-3-4-12(19)15(18)16(10)22-17-11-6-8-23(9-14(24)20-2)13(11)5-7-21-17/h3-8H,9H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyNWFFJRRXQKCPPX-UHFFFAOYSA-N
MW346.79 g/mol
LogP3.63
Rot. Bonds4

About 2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide

2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide (PubChem CID 153376821) has the molecular formula C17H16ClFN4O and a molecular weight of 346.79 g/mol. Its IUPAC name is 2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide
PubChem CID153376821
Molecular FormulaC17H16ClFN4O
Molecular Weight346.79 g/mol
Exact Mass346.10
IUPAC Name2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1ccc2c(Nc3c(C)ccc(F)c3Cl)nccc21
InChIInChI=1S/C17H16ClFN4O/c1-10-3-4-12(19)15(18)16(10)22-17-11-6-8-23(9-14(24)20-2)13(11)5-7-21-17/h3-8H,9H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyNWFFJRRXQKCPPX-UHFFFAOYSA-N
XLogP3.63
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide (CID 153376821) is 2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide is CNC(=O)Cn1ccc2c(Nc3c(C)ccc(F)c3Cl)nccc21.
What is the InChIKey of 2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide?
The InChIKey is NWFFJRRXQKCPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O/c1-10-3-4-12(19)15(18)16(10)22-17-11-6-8-23(9-14(24)20-2)13(11)5-7-21-17/h3-8H,9H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide?
2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide has a molecular weight of 346.79 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide is sourced from PubChem (CID 153376821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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