2-chloro-N-(2,5-difluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

C18H10ClF2N5O — CID 53067593

IUPAC2-chloro-N-(2,5-difluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESO=C(Nc1cc(F)ccc1F)c1ccc(-n2nnc3cccnc32)cc1Cl
InChIInChI=1S/C18H10ClF2N5O/c19-13-9-11(26-17-15(24-25-26)2-1-7-22-17)4-5-12(13)18(27)23-16-8-10(20)3-6-14(16)21/h1-9H,(H,23,27)
InChIKeyVQNIGNULZVXGIP-UHFFFAOYSA-N
MW385.76 g/mol
LogP4.00
Rot. Bonds3

About 2-chloro-N-(2,5-difluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

2-chloro-N-(2,5-difluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 53067593) has the molecular formula C18H10ClF2N5O and a molecular weight of 385.76 g/mol. Its IUPAC name is 2-chloro-N-(2,5-difluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2,5-difluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID53067593
Molecular FormulaC18H10ClF2N5O
Molecular Weight385.76 g/mol
Exact Mass385.05
IUPAC Name2-chloro-N-(2,5-difluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESO=C(Nc1cc(F)ccc1F)c1ccc(-n2nnc3cccnc32)cc1Cl
InChIInChI=1S/C18H10ClF2N5O/c19-13-9-11(26-17-15(24-25-26)2-1-7-22-17)4-5-12(13)18(27)23-16-8-10(20)3-6-14(16)21/h1-9H,(H,23,27)
InChIKeyVQNIGNULZVXGIP-UHFFFAOYSA-N
XLogP4.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.76
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2-ethylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067557
2-chloro-N-[(3-fluorophenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067588
2-chloro-N-(2-methoxy-5-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067576
N-(3-acetylphenyl)-2-chloro-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067570
N-(2-fluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006193
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023
2-chloro-N-(3-propylsulfanylpropyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067586
N-(5-chloro-2,4-dimethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006189
2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 30884817
2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315
2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
CID 84576375
N-(5-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 7899666

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,5-difluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of 2-chloro-N-(2,5-difluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 53067593) is 2-chloro-N-(2,5-difluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2,5-difluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2,5-difluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is O=C(Nc1cc(F)ccc1F)c1ccc(-n2nnc3cccnc32)cc1Cl.
What is the InChIKey of 2-chloro-N-(2,5-difluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is VQNIGNULZVXGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF2N5O/c19-13-9-11(26-17-15(24-25-26)2-1-7-22-17)4-5-12(13)18(27)23-16-8-10(20)3-6-14(16)21/h1-9H,(H,23,27).
What are the key properties of 2-chloro-N-(2,5-difluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
2-chloro-N-(2,5-difluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 385.76 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,5-difluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 53067593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).