(3-amino-2,5-difluorophenyl)-(5-methyl-1H-indol-3-yl)methanone

C16H12F2N2O — CID 107123712

IUPAC(3-amino-2,5-difluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2[nH]cc(C(=O)c3cc(F)cc(N)c3F)c2c1
InChIInChI=1S/C16H12F2N2O/c1-8-2-3-14-10(4-8)12(7-20-14)16(21)11-5-9(17)6-13(19)15(11)18/h2-7,20H,19H2,1H3
InChIKeyUPNRCHAPZHGBOL-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.57
Rot. Bonds2

About (3-amino-2,5-difluorophenyl)-(5-methyl-1H-indol-3-yl)methanone

(3-amino-2,5-difluorophenyl)-(5-methyl-1H-indol-3-yl)methanone (PubChem CID 107123712) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is (3-amino-2,5-difluorophenyl)-(5-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-amino-2,5-difluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
PubChem CID107123712
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name(3-amino-2,5-difluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2[nH]cc(C(=O)c3cc(F)cc(N)c3F)c2c1
InChIInChI=1S/C16H12F2N2O/c1-8-2-3-14-10(4-8)12(7-20-14)16(21)11-5-9(17)6-13(19)15(11)18/h2-7,20H,19H2,1H3
InChIKeyUPNRCHAPZHGBOL-UHFFFAOYSA-N
XLogP3.57
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101248
(5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 102707031
(5-methyl-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63555314
(2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555321
(2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81109626
(2-chloro-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 81454697
(2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555332
(5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514797
(3-amino-5-bromo-2-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107874166
(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 65453793
(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555156
(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555318

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,5-difluorophenyl)-(5-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (3-amino-2,5-difluorophenyl)-(5-methyl-1H-indol-3-yl)methanone (CID 107123712) is (3-amino-2,5-difluorophenyl)-(5-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-amino-2,5-difluorophenyl)-(5-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (3-amino-2,5-difluorophenyl)-(5-methyl-1H-indol-3-yl)methanone is Cc1ccc2[nH]cc(C(=O)c3cc(F)cc(N)c3F)c2c1.
What is the InChIKey of (3-amino-2,5-difluorophenyl)-(5-methyl-1H-indol-3-yl)methanone?
The InChIKey is UPNRCHAPZHGBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c1-8-2-3-14-10(4-8)12(7-20-14)16(21)11-5-9(17)6-13(19)15(11)18/h2-7,20H,19H2,1H3.
What are the key properties of (3-amino-2,5-difluorophenyl)-(5-methyl-1H-indol-3-yl)methanone?
(3-amino-2,5-difluorophenyl)-(5-methyl-1H-indol-3-yl)methanone has a molecular weight of 286.28 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,5-difluorophenyl)-(5-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 107123712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).