N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-fluorobenzamide

C21H14ClFN2O — CID 46334597

IUPACN-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1)c1cccc(F)c1
InChIInChI=1S/C21H14ClFN2O/c22-16-6-9-19-15(10-16)12-20(25-19)13-4-7-18(8-5-13)24-21(26)14-2-1-3-17(23)11-14/h1-12,25H,(H,24,26)
InChIKeyNWEWFBVFTMWONQ-UHFFFAOYSA-N
MW364.81 g/mol
LogP5.88
Rot. Bonds3

About N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-fluorobenzamide

N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-fluorobenzamide (PubChem CID 46334597) 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]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-fluorobenzamide
PubChem CID46334597
Molecular FormulaC21H14ClFN2O
Molecular Weight364.81 g/mol
Exact Mass364.08
IUPAC NameN-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1)c1cccc(F)c1
InChIInChI=1S/C21H14ClFN2O/c22-16-6-9-19-15(10-16)12-20(25-19)13-4-7-18(8-5-13)24-21(26)14-2-1-3-17(23)11-14/h1-12,25H,(H,24,26)
InChIKeyNWEWFBVFTMWONQ-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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Related Compounds

N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-fluorobenzamide
CID 46334569
2-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide
CID 46334527
1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46381008
N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide
CID 46334596
4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide
CID 46334542
3-(5-chloro-1H-indol-2-yl)benzoyl chloride
CID 20556621
1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381076
2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide
CID 10389580
1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea
CID 46381079
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 94783605
N-[2-[4-(pyridine-4-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10002974
1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 46380914

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-fluorobenzamide?
The IUPAC name of N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-fluorobenzamide (CID 46334597) is N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-fluorobenzamide is O=C(Nc1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1)c1cccc(F)c1.
What is the InChIKey of N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-fluorobenzamide?
The InChIKey is NWEWFBVFTMWONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2O/c22-16-6-9-19-15(10-16)12-20(25-19)13-4-7-18(8-5-13)24-21(26)14-2-1-3-17(23)11-14/h1-12,25H,(H,24,26).
What are the key properties of N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-fluorobenzamide?
N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-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]-3-fluorobenzamide is sourced from PubChem (CID 46334597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).