N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethyl)-3-fluorobenzamide

C19H16F3N3O — CID 137453584

IUPACN-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethyl)-3-fluorobenzamide
SMILESO=C(NCc1c(C2CC2)ccc2[nH]ncc12)c1ccc(C(F)F)c(F)c1
InChIInChI=1S/C19H16F3N3O/c20-16-7-11(3-4-13(16)18(21)22)19(26)23-8-14-12(10-1-2-10)5-6-17-15(14)9-24-25-17/h3-7,9-10,18H,1-2,8H2,(H,23,26)(H,24,25)
InChIKeyANWFMANWTGHKTA-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.45
Rot. Bonds5

About N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethyl)-3-fluorobenzamide

N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethyl)-3-fluorobenzamide (PubChem CID 137453584) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethyl)-3-fluorobenzamide
PubChem CID137453584
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC NameN-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethyl)-3-fluorobenzamide
SMILESO=C(NCc1c(C2CC2)ccc2[nH]ncc12)c1ccc(C(F)F)c(F)c1
InChIInChI=1S/C19H16F3N3O/c20-16-7-11(3-4-13(16)18(21)22)19(26)23-8-14-12(10-1-2-10)5-6-17-15(14)9-24-25-17/h3-7,9-10,18H,1-2,8H2,(H,23,26)(H,24,25)
InChIKeyANWFMANWTGHKTA-UHFFFAOYSA-N
XLogP4.45
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-3-fluoro-4-(trifluoromethyl)benzamide
CID 137453579
3-chloro-4,5-difluoro-N-(1H-indazol-4-ylmethyl)benzamide
CID 137453536
4-(difluoromethyl)-3-fluorobenzohydrazide
CID 178127669
N-[(3-amino-6-cyclopropyl-2-hydrazinylphenyl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide
CID 146643951
N-[(2,5-difluorophenyl)methyl]-1H-indazole-6-carboxamide
CID 63379684
N-[(3-amino-6-cyclopropyl-2-methanimidoylphenyl)methyl]-3,4,5-trifluorobenzamide
CID 146642760
3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736056
N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide
CID 169452670
N-[(3-amino-6-cyclopropyl-2-methanimidoylphenyl)methyl]-3-fluoro-4-(trifluoromethoxy)benzamide
CID 146643011
3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride
CID 169452677
3-cyclopropyl-6-[(E)-1-[4-(difluoromethyl)-3-fluorophenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 53245893
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide
CID 122263855

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethyl)-3-fluorobenzamide?
The IUPAC name of N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethyl)-3-fluorobenzamide (CID 137453584) is N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethyl)-3-fluorobenzamide.
What is the SMILES notation for N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethyl)-3-fluorobenzamide?
The canonical SMILES for N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethyl)-3-fluorobenzamide is O=C(NCc1c(C2CC2)ccc2[nH]ncc12)c1ccc(C(F)F)c(F)c1.
What is the InChIKey of N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethyl)-3-fluorobenzamide?
The InChIKey is ANWFMANWTGHKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c20-16-7-11(3-4-13(16)18(21)22)19(26)23-8-14-12(10-1-2-10)5-6-17-15(14)9-24-25-17/h3-7,9-10,18H,1-2,8H2,(H,23,26)(H,24,25).
What are the key properties of N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethyl)-3-fluorobenzamide?
N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethyl)-3-fluorobenzamide has a molecular weight of 359.35 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethyl)-3-fluorobenzamide is sourced from PubChem (CID 137453584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).