N-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide

C15H11ClFN3O — CID 53162873

IUPACN-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c2cccnc21
InChIInChI=1S/C15H11ClFN3O/c1-20-8-11(10-3-2-6-18-14(10)20)15(21)19-9-4-5-13(17)12(16)7-9/h2-8H,1H3,(H,19,21)
InChIKeyZFAXNBAOBHGCCZ-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.62
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 53162873) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID53162873
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c2cccnc21
InChIInChI=1S/C15H11ClFN3O/c1-20-8-11(10-3-2-6-18-14(10)20)15(21)19-9-4-5-13(17)12(16)7-9/h2-8H,1H3,(H,19,21)
InChIKeyZFAXNBAOBHGCCZ-UHFFFAOYSA-N
XLogP3.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 38898502
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N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
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N-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
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CID 6465834
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2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
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CID 54727019
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
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CID 81225961

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 53162873) is N-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide is Cn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c2cccnc21.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is ZFAXNBAOBHGCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c1-20-8-11(10-3-2-6-18-14(10)20)15(21)19-9-4-5-13(17)12(16)7-9/h2-8H,1H3,(H,19,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 303.72 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 53162873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).