3-chloro-4-(difluoromethoxy)-N-[(4-methyltriazolo[1,5-a]pyridin-3-yl)methyl]benzamide

C16H13ClF2N4O2 — CID 139532980

IUPAC3-chloro-4-(difluoromethoxy)-N-[(4-methyltriazolo[1,5-a]pyridin-3-yl)methyl]benzamide
SMILESCc1cccn2nnc(CNC(=O)c3ccc(OC(F)F)c(Cl)c3)c12
InChIInChI=1S/C16H13ClF2N4O2/c1-9-3-2-6-23-14(9)12(21-22-23)8-20-15(24)10-4-5-13(11(17)7-10)25-16(18)19/h2-7,16H,8H2,1H3,(H,20,24)
InChIKeyMGWQTKSQLWCNKX-UHFFFAOYSA-N
MW366.76 g/mol
LogP3.22
Rot. Bonds5

About 3-chloro-4-(difluoromethoxy)-N-[(4-methyltriazolo[1,5-a]pyridin-3-yl)methyl]benzamide

3-chloro-4-(difluoromethoxy)-N-[(4-methyltriazolo[1,5-a]pyridin-3-yl)methyl]benzamide (PubChem CID 139532980) has the molecular formula C16H13ClF2N4O2 and a molecular weight of 366.76 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethoxy)-N-[(4-methyltriazolo[1,5-a]pyridin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-(difluoromethoxy)-N-[(4-methyltriazolo[1,5-a]pyridin-3-yl)methyl]benzamide
PubChem CID139532980
Molecular FormulaC16H13ClF2N4O2
Molecular Weight366.76 g/mol
Exact Mass366.07
IUPAC Name3-chloro-4-(difluoromethoxy)-N-[(4-methyltriazolo[1,5-a]pyridin-3-yl)methyl]benzamide
SMILESCc1cccn2nnc(CNC(=O)c3ccc(OC(F)F)c(Cl)c3)c12
InChIInChI=1S/C16H13ClF2N4O2/c1-9-3-2-6-23-14(9)12(21-22-23)8-20-15(24)10-4-5-13(11(17)7-10)25-16(18)19/h2-7,16H,8H2,1H3,(H,20,24)
InChIKeyMGWQTKSQLWCNKX-UHFFFAOYSA-N
XLogP3.22
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.76
LogP ≤ 53.22
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
3-chloro-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxybenzamide
CID 18476147
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
N-[3-[3-(3-chloro-4-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 155510358
5-chloro-2-ethyl-N-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 132054571
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-((1-methyl-5-(pyridin-2-yl)-1H-pyrazol-3-yl)methyl)-4-(trifluoromethoxy)benzamide
CID 71797649
N-{2-[3-(pyridin-4-yl)-1H-pyrazol-1-yl]ethyl}-4-(trifluoromethoxy)benzamide
CID 71807859
3-chloro-N-(1H-indol-5-yl)-4-methoxybenzamide
CID 172437996
(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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethoxy)-N-[(4-methyltriazolo[1,5-a]pyridin-3-yl)methyl]benzamide?
The IUPAC name of 3-chloro-4-(difluoromethoxy)-N-[(4-methyltriazolo[1,5-a]pyridin-3-yl)methyl]benzamide (CID 139532980) is 3-chloro-4-(difluoromethoxy)-N-[(4-methyltriazolo[1,5-a]pyridin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-(difluoromethoxy)-N-[(4-methyltriazolo[1,5-a]pyridin-3-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-4-(difluoromethoxy)-N-[(4-methyltriazolo[1,5-a]pyridin-3-yl)methyl]benzamide is Cc1cccn2nnc(CNC(=O)c3ccc(OC(F)F)c(Cl)c3)c12.
What is the InChIKey of 3-chloro-4-(difluoromethoxy)-N-[(4-methyltriazolo[1,5-a]pyridin-3-yl)methyl]benzamide?
The InChIKey is MGWQTKSQLWCNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N4O2/c1-9-3-2-6-23-14(9)12(21-22-23)8-20-15(24)10-4-5-13(11(17)7-10)25-16(18)19/h2-7,16H,8H2,1H3,(H,20,24).
What are the key properties of 3-chloro-4-(difluoromethoxy)-N-[(4-methyltriazolo[1,5-a]pyridin-3-yl)methyl]benzamide?
3-chloro-4-(difluoromethoxy)-N-[(4-methyltriazolo[1,5-a]pyridin-3-yl)methyl]benzamide has a molecular weight of 366.76 g/mol, XLogP of 3.22, 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-[(4-methyltriazolo[1,5-a]pyridin-3-yl)methyl]benzamide is sourced from PubChem (CID 139532980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).