N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide

C18H15F2N3O — CID 171559389

IUPACN-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide
SMILESCn1nc(NC(=O)c2ccc(F)c(F)c2)c2cccc(C3CC3)c21
InChIInChI=1S/C18H15F2N3O/c1-23-16-12(10-5-6-10)3-2-4-13(16)17(22-23)21-18(24)11-7-8-14(19)15(20)9-11/h2-4,7-10H,5-6H2,1H3,(H,21,22,24)
InChIKeyIHEUDPZIDJLGDN-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.98
Rot. Bonds3

About N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide

N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide (PubChem CID 171559389) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide
PubChem CID171559389
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC NameN-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide
SMILESCn1nc(NC(=O)c2ccc(F)c(F)c2)c2cccc(C3CC3)c21
InChIInChI=1S/C18H15F2N3O/c1-23-16-12(10-5-6-10)3-2-4-13(16)17(22-23)21-18(24)11-7-8-14(19)15(20)9-11/h2-4,7-10H,5-6H2,1H3,(H,21,22,24)
InChIKeyIHEUDPZIDJLGDN-UHFFFAOYSA-N
XLogP3.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-cyclopropyl-1-methylindazol-3-yl)-3-fluorobenzamide
CID 171559426
N-[7-cyclopropyl-1-(3-fluoropropyl)indazol-3-yl]-4-fluorobenzamide
CID 171559435
N-(4-cyclopropyl-1-ethyl-5-methylpyrazol-3-yl)-3,4-difluorobenzamide
CID 169169704
N-(5-cyclopropylisoquinolin-1-yl)-3-fluorobenzamide
CID 171559481
4-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-(2,6-difluorophenyl)-3-fluorobenzamide
CID 54596273
3,4-difluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 19601483
4-[(3,4-difluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 57434029
(3,4-difluorophenyl)-(1-methylindazol-3-yl)methanone
CID 103124566
N-(1-methylindazol-3-yl)-3-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzamide
CID 95197391
3,4-difluoro-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 43036733
3-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120643486
N-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide
CID 51192351

Frequently Asked Questions

What is the IUPAC name of N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide?
The IUPAC name of N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide (CID 171559389) is N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide?
The canonical SMILES for N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide is Cn1nc(NC(=O)c2ccc(F)c(F)c2)c2cccc(C3CC3)c21.
What is the InChIKey of N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide?
The InChIKey is IHEUDPZIDJLGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-23-16-12(10-5-6-10)3-2-4-13(16)17(22-23)21-18(24)11-7-8-14(19)15(20)9-11/h2-4,7-10H,5-6H2,1H3,(H,21,22,24).
What are the key properties of N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide?
N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide has a molecular weight of 327.33 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-cyclopropyl-1-methylindazol-3-yl)-3,4-difluorobenzamide is sourced from PubChem (CID 171559389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).