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

C19H13ClFN5O — CID 53067588

IUPAC2-chloro-N-[(3-fluorophenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(-n2nnc3cccnc32)cc1Cl
InChIInChI=1S/C19H13ClFN5O/c20-16-10-14(26-18-17(24-25-26)5-2-8-22-18)6-7-15(16)19(27)23-11-12-3-1-4-13(21)9-12/h1-10H,11H2,(H,23,27)
InChIKeyDNTBEXODATWDAU-UHFFFAOYSA-N
MW381.80 g/mol
LogP3.54
Rot. Bonds4

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

2-chloro-N-[(3-fluorophenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 53067588) has the molecular formula C19H13ClFN5O and a molecular weight of 381.80 g/mol. Its IUPAC name is 2-chloro-N-[(3-fluorophenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(3-fluorophenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID53067588
Molecular FormulaC19H13ClFN5O
Molecular Weight381.80 g/mol
Exact Mass381.08
IUPAC Name2-chloro-N-[(3-fluorophenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(-n2nnc3cccnc32)cc1Cl
InChIInChI=1S/C19H13ClFN5O/c20-16-10-14(26-18-17(24-25-26)5-2-8-22-18)6-7-15(16)19(27)23-11-12-3-1-4-13(21)9-12/h1-10H,11H2,(H,23,27)
InChIKeyDNTBEXODATWDAU-UHFFFAOYSA-N
XLogP3.54
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.80
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2,5-difluorophenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067593
2-chloro-N-(3-propylsulfanylpropyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067586
N-(3-acetylphenyl)-2-chloro-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067570
2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 127502749
3-methyl-N-[(3-methylphenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067625
N-[(3-fluorophenyl)methyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 20916290
N-[[3-(bromomethyl)phenyl]methyl]-2-chloro-4-fluorobenzamide
CID 114312951
5-chloro-N-[(3-fluorophenyl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 114922058
N-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62166991
4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 82795367
4-[[3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 20908305
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 53067588) is 2-chloro-N-[(3-fluorophenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[(3-fluorophenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-[(3-fluorophenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is O=C(NCc1cccc(F)c1)c1ccc(-n2nnc3cccnc32)cc1Cl.
What is the InChIKey of 2-chloro-N-[(3-fluorophenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is DNTBEXODATWDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN5O/c20-16-10-14(26-18-17(24-25-26)5-2-8-22-18)6-7-15(16)19(27)23-11-12-3-1-4-13(21)9-12/h1-10H,11H2,(H,23,27).
What are the key properties of 2-chloro-N-[(3-fluorophenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
2-chloro-N-[(3-fluorophenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 381.80 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-fluorophenyl)methyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 53067588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).