2-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide

C22H17ClFN3O — CID 118466732

IUPAC2-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1ccccc1Cl
InChIInChI=1S/C22H17ClFN3O/c23-19-7-3-1-5-17(19)22(28)25-21-18-6-2-4-8-20(18)27(26-21)14-16-11-9-15(13-24)10-12-16/h1-12H,13-14H2,(H,25,26,28)
InChIKeyQDJOPTMLNFDVRL-UHFFFAOYSA-N
MW393.85 g/mol
LogP5.46
Rot. Bonds5

About 2-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide

2-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (PubChem CID 118466732) has the molecular formula C22H17ClFN3O and a molecular weight of 393.85 g/mol. Its IUPAC name is 2-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
PubChem CID118466732
Molecular FormulaC22H17ClFN3O
Molecular Weight393.85 g/mol
Exact Mass393.10
IUPAC Name2-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1ccccc1Cl
InChIInChI=1S/C22H17ClFN3O/c23-19-7-3-1-5-17(19)22(28)25-21-18-6-2-4-8-20(18)27(26-21)14-16-11-9-15(13-24)10-12-16/h1-12H,13-14H2,(H,25,26,28)
InChIKeyQDJOPTMLNFDVRL-UHFFFAOYSA-N
XLogP5.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.85
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-1-methyl-1H-indazol-3-yl)-4-methylbenzamide
CID 2742951
4-chloro-N-[4-(dimethylamino)-1-methyl-1H-indazol-3-yl]benzamide
CID 2813216
N-[4-(dimethylamino)-1-methyl-1H-indazol-3-yl]-4-fluorobenzamide
CID 2813217
4-chloro-N-(1-cyclohexyl-3-phenyl-1H-pyrazol-5-yl)benzamide
CID 42601146
N-[4-(3-acetamido-1-propan-2-ylpyrazol-5-yl)-2-phenylphenyl]-2-chloro-6-fluoro-N-(trideuteriomethyl)benzamide
CID 122184114
1-N-[6-(2-chlorophenyl)-1H-indazol-3-yl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 145972882
2-chloro-N-(2,5-diphenylpyrazol-3-yl)benzamide
CID 2818849
N-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2-fluorobenzamide
CID 130229041
2-chloro-N-[4-[[(1-methylindazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 58317419
2-chloro-N-[4-[[(4-fluoro-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 59186812
2-chloro-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 59186825
2-chloro-N-[4-[[(5-fluoro-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 59186860

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (CID 118466732) is 2-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is O=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The InChIKey is QDJOPTMLNFDVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O/c23-19-7-3-1-5-17(19)22(28)25-21-18-6-2-4-8-20(18)27(26-21)14-16-11-9-15(13-24)10-12-16/h1-12H,13-14H2,(H,25,26,28).
What are the key properties of 2-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
2-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide has a molecular weight of 393.85 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is sourced from PubChem (CID 118466732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).