N-(3-chloro-4-fluorophenyl)-1H-indazole-3-carboxamide

C14H9ClFN3O — CID 4790595

IUPACN-(3-chloro-4-fluorophenyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1n[nH]c2ccccc12
InChIInChI=1S/C14H9ClFN3O/c15-10-7-8(5-6-11(10)16)17-14(20)13-9-3-1-2-4-12(9)18-19-13/h1-7H,(H,17,20)(H,18,19)
InChIKeyRTLRHCOQFHBPNZ-UHFFFAOYSA-N
MW289.70 g/mol
LogP3.61
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-1H-indazole-3-carboxamide

N-(3-chloro-4-fluorophenyl)-1H-indazole-3-carboxamide (PubChem CID 4790595) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1H-indazole-3-carboxamide
PubChem CID4790595
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1n[nH]c2ccccc12
InChIInChI=1S/C14H9ClFN3O/c15-10-7-8(5-6-11(10)16)17-14(20)13-9-3-1-2-4-12(9)18-19-13/h1-7H,(H,17,20)(H,18,19)
InChIKeyRTLRHCOQFHBPNZ-UHFFFAOYSA-N
XLogP3.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1H-indazole-5-carboxamide
CID 77844663
N-Phenyl-1H-indazole-3-carboxamide
CID 9341021
N-(4-chloro-3-fluorophenyl)-1H-indazole-5-carboxamide
CID 77844664
2-chloro-N-(1H-indazol-5-yl)benzamide
CID 4448318
Cumyl-inaca
CID 117645167
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide
CID 11123162
N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 4884098
N-(3-methylphenyl)-1H-indazole-3-carboxamide
CID 1505876
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259651
(6-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 118872306
1-[(2,4-dichlorophenyl)methyl]-N-(2,6-difluorophenyl)indazole-3-carboxamide
CID 130229976
1-[(2,4-dichlorophenyl)methyl]-N-(2-fluorophenyl)indazole-3-carboxamide
CID 130230203

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1H-indazole-3-carboxamide (CID 4790595) is N-(3-chloro-4-fluorophenyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1n[nH]c2ccccc12.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1H-indazole-3-carboxamide?
The InChIKey is RTLRHCOQFHBPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c15-10-7-8(5-6-11(10)16)17-14(20)13-9-3-1-2-4-12(9)18-19-13/h1-7H,(H,17,20)(H,18,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1H-indazole-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-1H-indazole-3-carboxamide has a molecular weight of 289.70 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 4790595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).