N-[(4-fluorophenyl)methyl]-4-(3-phenylindazol-1-yl)butanamide

C24H22FN3O — CID 20967457

IUPACN-[(4-fluorophenyl)methyl]-4-(3-phenylindazol-1-yl)butanamide
SMILESO=C(CCCn1nc(-c2ccccc2)c2ccccc21)NCc1ccc(F)cc1
InChIInChI=1S/C24H22FN3O/c25-20-14-12-18(13-15-20)17-26-23(29)11-6-16-28-22-10-5-4-9-21(22)24(27-28)19-7-2-1-3-8-19/h1-5,7-10,12-15H,6,11,16-17H2,(H,26,29)
InChIKeyLRLJQEFBJNBTSA-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.94
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-4-(3-phenylindazol-1-yl)butanamide

N-[(4-fluorophenyl)methyl]-4-(3-phenylindazol-1-yl)butanamide (PubChem CID 20967457) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(3-phenylindazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(3-phenylindazol-1-yl)butanamide
PubChem CID20967457
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(3-phenylindazol-1-yl)butanamide
SMILESO=C(CCCn1nc(-c2ccccc2)c2ccccc21)NCc1ccc(F)cc1
InChIInChI=1S/C24H22FN3O/c25-20-14-12-18(13-15-20)17-26-23(29)11-6-16-28-22-10-5-4-9-21(22)24(27-28)19-7-2-1-3-8-19/h1-5,7-10,12-15H,6,11,16-17H2,(H,26,29)
InChIKeyLRLJQEFBJNBTSA-UHFFFAOYSA-N
XLogP4.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(3-phenylindazol-1-yl)butanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(3-phenylindazol-1-yl)butanamide (CID 20967457) is N-[(4-fluorophenyl)methyl]-4-(3-phenylindazol-1-yl)butanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(3-phenylindazol-1-yl)butanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(3-phenylindazol-1-yl)butanamide is O=C(CCCn1nc(-c2ccccc2)c2ccccc21)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(3-phenylindazol-1-yl)butanamide?
The InChIKey is LRLJQEFBJNBTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c25-20-14-12-18(13-15-20)17-26-23(29)11-6-16-28-22-10-5-4-9-21(22)24(27-28)19-7-2-1-3-8-19/h1-5,7-10,12-15H,6,11,16-17H2,(H,26,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(3-phenylindazol-1-yl)butanamide?
N-[(4-fluorophenyl)methyl]-4-(3-phenylindazol-1-yl)butanamide has a molecular weight of 387.46 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(3-phenylindazol-1-yl)butanamide is sourced from PubChem (CID 20967457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).