(2-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone

C15H10ClFN2O — CID 103475589

IUPAC(2-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone
SMILESNc1ccc(F)cc1C(=O)c1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C15H10ClFN2O/c16-12-3-1-2-9-11(7-19-14(9)12)15(20)10-6-8(17)4-5-13(10)18/h1-7,19H,18H2
InChIKeyVVSUTJGMZNECME-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.77
Rot. Bonds2

About (2-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone

(2-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone (PubChem CID 103475589) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone
PubChem CID103475589
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name(2-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone
SMILESNc1ccc(F)cc1C(=O)c1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C15H10ClFN2O/c16-12-3-1-2-9-11(7-19-14(9)12)15(20)10-6-8(17)4-5-13(10)18/h1-7,19H,18H2
InChIKeyVVSUTJGMZNECME-UHFFFAOYSA-N
XLogP3.77
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475626
(7-chloro-1H-indol-3-yl)-(4-fluoro-2-methylphenyl)methanone
CID 103474322
(7-chloro-1H-indol-3-yl)-(2-chlorophenyl)methanone
CID 103474468
(3-amino-4-bromophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475637
(7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone
CID 103474439
(7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone
CID 103474392
(2-bromo-5-fluorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 43339323
1-(7-chloro-1H-indol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103474400
(2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone
CID 115352092
(3-chloro-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 81266663
(3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81267214
(2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319706

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone?
The IUPAC name of (2-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone (CID 103475589) is (2-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone?
The canonical SMILES for (2-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone is Nc1ccc(F)cc1C(=O)c1c[nH]c2c(Cl)cccc12.
What is the InChIKey of (2-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone?
The InChIKey is VVSUTJGMZNECME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c16-12-3-1-2-9-11(7-19-14(9)12)15(20)10-6-8(17)4-5-13(10)18/h1-7,19H,18H2.
What are the key properties of (2-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone?
(2-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone has a molecular weight of 288.71 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone is sourced from PubChem (CID 103475589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).