3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoic acid

C21H14FN3O3 — CID 91433209

IUPAC3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)Nc2ccc3c(cnn3-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C21H14FN3O3/c22-16-4-7-18(8-5-16)25-19-9-6-17(11-15(19)12-23-25)24-20(26)13-2-1-3-14(10-13)21(27)28/h1-12H,(H,24,26)(H,27,28)
InChIKeySODUPMBZXIMPED-UHFFFAOYSA-N
MW375.36 g/mol
LogP4.12
Rot. Bonds4

About 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoic acid

3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoic acid (PubChem CID 91433209) has the molecular formula C21H14FN3O3 and a molecular weight of 375.36 g/mol. Its IUPAC name is 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoic acid
PubChem CID91433209
Molecular FormulaC21H14FN3O3
Molecular Weight375.36 g/mol
Exact Mass375.10
IUPAC Name3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)Nc2ccc3c(cnn3-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C21H14FN3O3/c22-16-4-7-18(8-5-16)25-19-9-6-17(11-15(19)12-23-25)24-20(26)13-2-1-3-14(10-13)21(27)28/h1-12H,(H,24,26)(H,27,28)
InChIKeySODUPMBZXIMPED-UHFFFAOYSA-N
XLogP4.12
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid
CID 67113503
N-chloro-1-(4-fluorophenyl)indazol-5-amine
CID 164606394
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide
CID 67114039
3-(5-iodoindazol-1-yl)benzoic acid
CID 57432097
4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide
CID 141334501
N-[1-[4-(3-cyclopropylpropanoyl)phenyl]indazol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 147606537
3-fluoro-N-(1-methylindazol-6-yl)benzamide
CID 110462740
tert-butyl N-[1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]indazol-5-yl]carbamate
CID 67686467
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide
CID 67113553
N-[1-[4-(cyclopropylmethylcarbamoyl)phenyl]indazol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67113684
N-[4-[5-[[4-(dimethylamino)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide
CID 71040947
N-[4-(5-hydroxyindazol-1-yl)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67113330

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoic acid?
The IUPAC name of 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoic acid (CID 91433209) is 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoic acid.
What is the SMILES notation for 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoic acid?
The canonical SMILES for 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoic acid is O=C(O)c1cccc(C(=O)Nc2ccc3c(cnn3-c3ccc(F)cc3)c2)c1.
What is the InChIKey of 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoic acid?
The InChIKey is SODUPMBZXIMPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O3/c22-16-4-7-18(8-5-16)25-19-9-6-17(11-15(19)12-23-25)24-20(26)13-2-1-3-14(10-13)21(27)28/h1-12H,(H,24,26)(H,27,28).
What are the key properties of 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoic acid?
3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoic acid has a molecular weight of 375.36 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 91433209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).