N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]-3-methoxybenzamide

C22H17ClFN3O2 — CID 24955214

IUPACN-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nn(Cc3cccc(Cl)c3)c3ccc(F)cc23)c1
InChIInChI=1S/C22H17ClFN3O2/c1-29-18-7-3-5-15(11-18)22(28)25-21-19-12-17(24)8-9-20(19)27(26-21)13-14-4-2-6-16(23)10-14/h2-12H,13H2,1H3,(H,25,26,28)
InChIKeyBQCQJHVDEPMKAB-UHFFFAOYSA-N
MW409.85 g/mol
LogP5.14
Rot. Bonds5

About N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]-3-methoxybenzamide

N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]-3-methoxybenzamide (PubChem CID 24955214) has the molecular formula C22H17ClFN3O2 and a molecular weight of 409.85 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]-3-methoxybenzamide
PubChem CID24955214
Molecular FormulaC22H17ClFN3O2
Molecular Weight409.85 g/mol
Exact Mass409.10
IUPAC NameN-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nn(Cc3cccc(Cl)c3)c3ccc(F)cc23)c1
InChIInChI=1S/C22H17ClFN3O2/c1-29-18-7-3-5-15(11-18)22(28)25-21-19-12-17(24)8-9-20(19)27(26-21)13-14-4-2-6-16(23)10-14/h2-12H,13H2,1H3,(H,25,26,28)
InChIKeyBQCQJHVDEPMKAB-UHFFFAOYSA-N
XLogP5.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.85
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]-3-methoxybenzamide
CID 1509647
N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-2,6-difluorobenzamide
CID 44448326
N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 44448347
4-[[1-[[4-(Difluoromethoxy)phenyl]methyl]-5-fluoroindazol-3-yl]carbamoyl]benzoic acid
CID 24954490
MAT-POS-0c8fa4a7-2
CID 156906964
EDJ-MED-c8e7a002-2
CID 156906985
N-(4-fluoro-1-methylindazol-3-yl)-3-methoxybenzamide
CID 2742955
3-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
CID 172434181
3-chloro-2-fluoro-N-[6-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanyl-1H-indazol-3-yl]benzamide
CID 177642007
2-(difluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
CID 118335473
2-(trifluoromethoxy)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
CID 118335541
N-(1H-indazol-3-yl)-3-methoxybenzamide
CID 2742976

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]-3-methoxybenzamide (CID 24955214) is N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2nn(Cc3cccc(Cl)c3)c3ccc(F)cc23)c1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]-3-methoxybenzamide?
The InChIKey is BQCQJHVDEPMKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O2/c1-29-18-7-3-5-15(11-18)22(28)25-21-19-12-17(24)8-9-20(19)27(26-21)13-14-4-2-6-16(23)10-14/h2-12H,13H2,1H3,(H,25,26,28).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]-3-methoxybenzamide?
N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]-3-methoxybenzamide has a molecular weight of 409.85 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]-3-methoxybenzamide is sourced from PubChem (CID 24955214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).