N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(2H-indazol-3-yl)acetamide

C18H17F2N3O — CID 49376574

IUPACN-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(2H-indazol-3-yl)acetamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)Cc1[nH]nc2ccccc12
InChIInChI=1S/C18H17F2N3O/c1-2-23(11-12-7-8-14(19)15(20)9-12)18(24)10-17-13-5-3-4-6-16(13)21-22-17/h3-9H,2,10-11H2,1H3,(H,21,22)
InChIKeyBOSUSKRWKDCFNS-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.43
Rot. Bonds5

About N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(2H-indazol-3-yl)acetamide

N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(2H-indazol-3-yl)acetamide (PubChem CID 49376574) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(2H-indazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(2H-indazol-3-yl)acetamide
PubChem CID49376574
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(2H-indazol-3-yl)acetamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)Cc1[nH]nc2ccccc12
InChIInChI=1S/C18H17F2N3O/c1-2-23(11-12-7-8-14(19)15(20)9-12)18(24)10-17-13-5-3-4-6-16(13)21-22-17/h3-9H,2,10-11H2,1H3,(H,21,22)
InChIKeyBOSUSKRWKDCFNS-UHFFFAOYSA-N
XLogP3.43
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(2H-indazol-3-yl)acetamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(2H-indazol-3-yl)acetamide (CID 49376574) is N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(2H-indazol-3-yl)acetamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(2H-indazol-3-yl)acetamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(2H-indazol-3-yl)acetamide is CCN(Cc1ccc(F)c(F)c1)C(=O)Cc1[nH]nc2ccccc12.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(2H-indazol-3-yl)acetamide?
The InChIKey is BOSUSKRWKDCFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O/c1-2-23(11-12-7-8-14(19)15(20)9-12)18(24)10-17-13-5-3-4-6-16(13)21-22-17/h3-9H,2,10-11H2,1H3,(H,21,22).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(2H-indazol-3-yl)acetamide?
N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(2H-indazol-3-yl)acetamide has a molecular weight of 329.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(2H-indazol-3-yl)acetamide is sourced from PubChem (CID 49376574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).