N-[(3-chloro-4-fluorophenyl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide

C17H15ClFN3O2 — CID 53134500

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCn1ccc2c(cc(C(=O)NCc3ccc(F)c(Cl)c3)n2C)c1=O
InChIInChI=1S/C17H15ClFN3O2/c1-21-6-5-14-11(17(21)24)8-15(22(14)2)16(23)20-9-10-3-4-13(19)12(18)7-10/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyAXPQXYVHRPEOSQ-UHFFFAOYSA-N
MW347.78 g/mol
LogP2.60
Rot. Bonds3

About N-[(3-chloro-4-fluorophenyl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53134500) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID53134500
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCn1ccc2c(cc(C(=O)NCc3ccc(F)c(Cl)c3)n2C)c1=O
InChIInChI=1S/C17H15ClFN3O2/c1-21-6-5-14-11(17(21)24)8-15(22(14)2)16(23)20-9-10-3-4-13(19)12(18)7-10/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyAXPQXYVHRPEOSQ-UHFFFAOYSA-N
XLogP2.60
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 136541810
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CID 71822306
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
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N-[(2-chlorophenyl)methyl]-1-methyl-5-(2-methylpropyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
CID 53134528
1-[(3-chloro-4-fluorophenyl)methyl]-3-methylurea
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4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62537954
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluoropyridine-4-carboxamide
CID 62537287
N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784344
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
CID 103707226
N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107028470
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CID 113237311

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide (CID 53134500) is N-[(3-chloro-4-fluorophenyl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide is Cn1ccc2c(cc(C(=O)NCc3ccc(F)c(Cl)c3)n2C)c1=O.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is AXPQXYVHRPEOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2/c1-21-6-5-14-11(17(21)24)8-15(22(14)2)16(23)20-9-10-3-4-13(19)12(18)7-10/h3-8H,9H2,1-2H3,(H,20,23).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 347.78 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53134500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).