3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide

C15H11ClF2N4O2 — CID 139532937

IUPAC3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnn2ccccc12)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C15H11ClF2N4O2/c16-10-7-9(4-5-13(10)24-15(17)18)14(23)19-8-11-12-3-1-2-6-22(12)21-20-11/h1-7,15H,8H2,(H,19,23)
InChIKeyXOOUZRBSXDHBEL-UHFFFAOYSA-N
MW352.73 g/mol
LogP2.91
Rot. Bonds5

About 3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide

3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide (PubChem CID 139532937) has the molecular formula C15H11ClF2N4O2 and a molecular weight of 352.73 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide
PubChem CID139532937
Molecular FormulaC15H11ClF2N4O2
Molecular Weight352.73 g/mol
Exact Mass352.05
IUPAC Name3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnn2ccccc12)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C15H11ClF2N4O2/c16-10-7-9(4-5-13(10)24-15(17)18)14(23)19-8-11-12-3-1-2-6-22(12)21-20-11/h1-7,15H,8H2,(H,19,23)
InChIKeyXOOUZRBSXDHBEL-UHFFFAOYSA-N
XLogP2.91
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.73
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-[(1-cyanocyclopropyl)amino]-1-oxopropan-2-yl]-2-pyridin-3-yltriazole-4-carboxamide
CID 129164701
N-[(2S)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-[(1-cyanocyclopropyl)amino]-1-oxopropan-2-yl]-2-(6-fluoropyridin-3-yl)triazole-4-carboxamide
CID 129164665
3-chloro-N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-4-methoxybenzamide
CID 91800614
3,5-dichloro-4-methoxy-N-pyridin-3-ylbenzamide
CID 952239
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide
CID 71790760
N-{2-[3-(pyridin-4-yl)-1H-pyrazol-1-yl]ethyl}-4-(trifluoromethoxy)benzamide
CID 71807859
(11R)-12-[3-chloro-4-(difluoromethoxy)benzoyl]-11-methyl-4-(2-pyridylmethyl)-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
CID 155366710
3-Chloro-4-methoxy-N-(3-quinolinyl)benzamide
CID 24212727
3-chloro-4-ethoxy-N-3-pyridinylbenzamide
CID 774897
3-chloro-4-methoxy-N-(3-pyridinylmethyl)benzamide
CID 4333262
4-isopropoxy-N-((1-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl)methyl)benzamide
CID 121022949
5-chloro-2-[4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-4-methoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 57840637

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide (CID 139532937) is 3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide is O=C(NCc1nnn2ccccc12)c1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide?
The InChIKey is XOOUZRBSXDHBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N4O2/c16-10-7-9(4-5-13(10)24-15(17)18)14(23)19-8-11-12-3-1-2-6-22(12)21-20-11/h1-7,15H,8H2,(H,19,23).
What are the key properties of 3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide?
3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide has a molecular weight of 352.73 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(difluoromethoxy)-N-(triazolo[1,5-a]pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 139532937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).