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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Kw-2449
CID 11427553
(3-Amino-1h-Indazol-5-Yl)[(2s)-2-(4-Fluorophenyl)piperidin-1-Yl]methanone
CID 118879516
2-Phenyl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 7694329
(3R)-3-amino-4-(2,5-difluorophenyl)-1-{3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}butan-1-one
CID 23645917
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645918
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(1,1,2,2,2-pentafluoroethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645925
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645928
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(1H-indazol-3-yl)ethane-1,2-dione
CID 6481410
4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-1H-indazol-5-yl]-benzamide
CID 9950390
N-(4-fluorophenyl)-2-[6-(2H-indazol-3-ylmethyl)-5,7-dioxo-4-phenyl-1,4-diazepin-1-yl]-N-propan-2-ylacetamide
CID 11512024
2-[6-(2H-indazol-3-ylmethyl)-5,7-dioxo-4-phenyl-1,4-diazepin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 11627577
2-[6-[(6-fluoro-2H-indazol-3-yl)methyl]-5,7-dioxo-4-phenyl-1,4-diazepin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 11635051

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).