2-chloro-3-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide

C14H10ClFN4O — CID 99802237

IUPAC2-chloro-3-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1nc2ncccc2[nH]1)c1cccc(F)c1Cl
InChIInChI=1S/C14H10ClFN4O/c15-12-8(3-1-4-9(12)16)14(21)18-7-11-19-10-5-2-6-17-13(10)20-11/h1-6H,7H2,(H,18,21)(H,17,19,20)
InChIKeyWOEYILYULPQPDE-UHFFFAOYSA-N
MW304.71 g/mol
LogP2.68
Rot. Bonds3

About 2-chloro-3-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide

2-chloro-3-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide (PubChem CID 99802237) has the molecular formula C14H10ClFN4O and a molecular weight of 304.71 g/mol. Its IUPAC name is 2-chloro-3-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-3-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide
PubChem CID99802237
Molecular FormulaC14H10ClFN4O
Molecular Weight304.71 g/mol
Exact Mass304.05
IUPAC Name2-chloro-3-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1nc2ncccc2[nH]1)c1cccc(F)c1Cl
InChIInChI=1S/C14H10ClFN4O/c15-12-8(3-1-4-9(12)16)14(21)18-7-11-19-10-5-2-6-17-13(10)20-11/h1-6H,7H2,(H,18,21)(H,17,19,20)
InChIKeyWOEYILYULPQPDE-UHFFFAOYSA-N
XLogP2.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136535072
N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
CID 947655
N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1H-indole-6-carboxamide
CID 99840834
2-chloro-N-(5-chloropentyl)-3-fluorobenzamide
CID 107321260
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide
CID 78769893
N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-3-fluorobenzamide
CID 81461744
N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 99791327
2-chloro-3-fluoro-N-pent-4-ynylbenzamide
CID 103708843
2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030652
2-chloro-3-fluoro-N-hex-5-ynylbenzamide
CID 103757958
N-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide
CID 105055625
2-[2-[(4-fluoro-1H-benzimidazol-2-yl)methylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 129052434

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-3-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide (CID 99802237) is 2-chloro-3-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-3-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-3-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide is O=C(NCc1nc2ncccc2[nH]1)c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-3-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide?
The InChIKey is WOEYILYULPQPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O/c15-12-8(3-1-4-9(12)16)14(21)18-7-11-19-10-5-2-6-17-13(10)20-11/h1-6H,7H2,(H,18,21)(H,17,19,20).
What are the key properties of 2-chloro-3-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide?
2-chloro-3-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide has a molecular weight of 304.71 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 99802237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).