N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide

C21H15ClFN3O — CID 58138781

IUPACN-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cccc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C21H15ClFN3O/c22-15-4-1-3-14(11-15)12-24-21(27)18-5-2-6-20-19(18)13-25-26(20)17-9-7-16(23)8-10-17/h1-11,13H,12H2,(H,24,27)
InChIKeyVUJKWDPRLOTRFG-UHFFFAOYSA-N
MW379.82 g/mol
LogP4.75
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide

N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide (PubChem CID 58138781) has the molecular formula C21H15ClFN3O and a molecular weight of 379.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
PubChem CID58138781
Molecular FormulaC21H15ClFN3O
Molecular Weight379.82 g/mol
Exact Mass379.09
IUPAC NameN-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cccc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C21H15ClFN3O/c22-15-4-1-3-14(11-15)12-24-21(27)18-5-2-6-20-19(18)13-25-26(20)17-9-7-16(23)8-10-17/h1-11,13H,12H2,(H,24,27)
InChIKeyVUJKWDPRLOTRFG-UHFFFAOYSA-N
XLogP4.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-methylindazole-5-carboxamide
CID 77844718
2-Chloro-N-ethyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
CID 45269354
N-(3-Chlorobenzyl)-2-[2-(1H-pyrazol-1-yl)ethyl]-2H-indazole-6-carboxamide
CID 24760614
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 58138788
1-(4-Fluorophenyl)-1H-indazole-4-carboxylic acid 3-trifluoromethyl-benzylamide
CID 58138826
1-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 58138845
1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 58138911
4-Chloro-N-(3-chlorobenzyl)-2-[2-(1H-pyrazol-1-yl)ethyl]-2H-indazole-6-carboxamide
CID 59292071
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299573
1-[2-[[(2S)-1-[(3-chloro-2-fluorophenyl)methylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299858
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299902
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-fluoropropyl)amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299956

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide (CID 58138781) is N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide is O=C(NCc1cccc(Cl)c1)c1cccc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
The InChIKey is VUJKWDPRLOTRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O/c22-15-4-1-3-14(11-15)12-24-21(27)18-5-2-6-20-19(18)13-25-26(20)17-9-7-16(23)8-10-17/h1-11,13H,12H2,(H,24,27).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide?
N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide has a molecular weight of 379.82 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide is sourced from PubChem (CID 58138781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).