N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-fluorobenzamide

C21H14ClFN2O — CID 46334569

IUPACN-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1)c1ccccc1F
InChIInChI=1S/C21H14ClFN2O/c22-15-7-10-19-14(11-15)12-20(25-19)13-5-8-16(9-6-13)24-21(26)17-3-1-2-4-18(17)23/h1-12,25H,(H,24,26)
InChIKeyFKFZRXRMFYYWMB-UHFFFAOYSA-N
MW364.81 g/mol
LogP5.88
Rot. Bonds3

About N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-fluorobenzamide

N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-fluorobenzamide (PubChem CID 46334569) has the molecular formula C21H14ClFN2O and a molecular weight of 364.81 g/mol. Its IUPAC name is N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-fluorobenzamide
PubChem CID46334569
Molecular FormulaC21H14ClFN2O
Molecular Weight364.81 g/mol
Exact Mass364.08
IUPAC NameN-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1)c1ccccc1F
InChIInChI=1S/C21H14ClFN2O/c22-15-7-10-19-14(11-15)12-20(25-19)13-5-8-16(9-6-13)24-21(26)17-3-1-2-4-18(17)23/h1-12,25H,(H,24,26)
InChIKeyFKFZRXRMFYYWMB-UHFFFAOYSA-N
XLogP5.88
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.81
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-fluorobenzamide (CID 46334569) is N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-fluorobenzamide is O=C(Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1)c1ccccc1F.
What is the InChIKey of N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-fluorobenzamide?
The InChIKey is FKFZRXRMFYYWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2O/c22-15-7-10-19-14(11-15)12-20(25-19)13-5-8-16(9-6-13)24-21(26)17-3-1-2-4-18(17)23/h1-12,25H,(H,24,26).
What are the key properties of N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-fluorobenzamide?
N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-fluorobenzamide has a molecular weight of 364.81 g/mol, XLogP of 5.88, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 46334569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).