3,5-difluoro-4-methoxy-N-[(5-methoxy-2,3-dihydro-1H-benzotriazol-4-yl)methyl]benzamide

C16H16F2N4O3 — CID 137453514

IUPAC3,5-difluoro-4-methoxy-N-[(5-methoxy-2,3-dihydro-1H-benzotriazol-4-yl)methyl]benzamide
SMILESCOc1ccc2c(c1CNC(=O)c1cc(F)c(OC)c(F)c1)NNN2
InChIInChI=1S/C16H16F2N4O3/c1-24-13-4-3-12-14(21-22-20-12)9(13)7-19-16(23)8-5-10(17)15(25-2)11(18)6-8/h3-6,20-22H,7H2,1-2H3,(H,19,23)
InChIKeyYTQSHAFLQYUZOP-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.17
Rot. Bonds5

About 3,5-difluoro-4-methoxy-N-[(5-methoxy-2,3-dihydro-1H-benzotriazol-4-yl)methyl]benzamide

3,5-difluoro-4-methoxy-N-[(5-methoxy-2,3-dihydro-1H-benzotriazol-4-yl)methyl]benzamide (PubChem CID 137453514) has the molecular formula C16H16F2N4O3 and a molecular weight of 350.33 g/mol. Its IUPAC name is 3,5-difluoro-4-methoxy-N-[(5-methoxy-2,3-dihydro-1H-benzotriazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-methoxy-N-[(5-methoxy-2,3-dihydro-1H-benzotriazol-4-yl)methyl]benzamide
PubChem CID137453514
Molecular FormulaC16H16F2N4O3
Molecular Weight350.33 g/mol
Exact Mass350.12
IUPAC Name3,5-difluoro-4-methoxy-N-[(5-methoxy-2,3-dihydro-1H-benzotriazol-4-yl)methyl]benzamide
SMILESCOc1ccc2c(c1CNC(=O)c1cc(F)c(OC)c(F)c1)NNN2
InChIInChI=1S/C16H16F2N4O3/c1-24-13-4-3-12-14(21-22-20-12)9(13)7-19-16(23)8-5-10(17)15(25-2)11(18)6-8/h3-6,20-22H,7H2,1-2H3,(H,19,23)
InChIKeyYTQSHAFLQYUZOP-UHFFFAOYSA-N
XLogP2.17
TPSA83.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-amino-2-diazenyl-6-methoxyphenyl)methyl]-3,5-difluoro-4-methoxybenzamide
CID 146642838
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
N-[[3-amino-2-[ethyl(methyl)amino]-6-fluorophenyl]methyl]-3,5-difluoro-4-methoxybenzamide
CID 146642855
3,5-difluoro-4-methoxy-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide
CID 139532981
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 110780162
N-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide
CID 137453592
3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 59356128
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 60736763
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 107233727
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-methoxy-N-[(5-methoxy-2,3-dihydro-1H-benzotriazol-4-yl)methyl]benzamide?
The IUPAC name of 3,5-difluoro-4-methoxy-N-[(5-methoxy-2,3-dihydro-1H-benzotriazol-4-yl)methyl]benzamide (CID 137453514) is 3,5-difluoro-4-methoxy-N-[(5-methoxy-2,3-dihydro-1H-benzotriazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-4-methoxy-N-[(5-methoxy-2,3-dihydro-1H-benzotriazol-4-yl)methyl]benzamide?
The canonical SMILES for 3,5-difluoro-4-methoxy-N-[(5-methoxy-2,3-dihydro-1H-benzotriazol-4-yl)methyl]benzamide is COc1ccc2c(c1CNC(=O)c1cc(F)c(OC)c(F)c1)NNN2.
What is the InChIKey of 3,5-difluoro-4-methoxy-N-[(5-methoxy-2,3-dihydro-1H-benzotriazol-4-yl)methyl]benzamide?
The InChIKey is YTQSHAFLQYUZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O3/c1-24-13-4-3-12-14(21-22-20-12)9(13)7-19-16(23)8-5-10(17)15(25-2)11(18)6-8/h3-6,20-22H,7H2,1-2H3,(H,19,23).
What are the key properties of 3,5-difluoro-4-methoxy-N-[(5-methoxy-2,3-dihydro-1H-benzotriazol-4-yl)methyl]benzamide?
3,5-difluoro-4-methoxy-N-[(5-methoxy-2,3-dihydro-1H-benzotriazol-4-yl)methyl]benzamide has a molecular weight of 350.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-methoxy-N-[(5-methoxy-2,3-dihydro-1H-benzotriazol-4-yl)methyl]benzamide is sourced from PubChem (CID 137453514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).