(3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

C16H14F2N2O — CID 103493768

IUPAC(3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESCc1c(N)cc(C(=O)N2CCc3ccc(F)cc32)cc1F
InChIInChI=1S/C16H14F2N2O/c1-9-13(18)6-11(7-14(9)19)16(21)20-5-4-10-2-3-12(17)8-15(10)20/h2-3,6-8H,4-5,19H2,1H3
InChIKeyBMNFMXDWMCWCMJ-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.06
Rot. Bonds1

About (3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

(3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone (PubChem CID 103493768) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is (3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
PubChem CID103493768
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESCc1c(N)cc(C(=O)N2CCc3ccc(F)cc32)cc1F
InChIInChI=1S/C16H14F2N2O/c1-9-13(18)6-11(7-14(9)19)16(21)20-5-4-10-2-3-12(17)8-15(10)20/h2-3,6-8H,4-5,19H2,1H3
InChIKeyBMNFMXDWMCWCMJ-UHFFFAOYSA-N
XLogP3.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493821
[4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495293
(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493819
(6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103718991
(3-amino-4-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502191
(4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493823
[4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502194
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone
CID 83210068
3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103501357
2,3-dihydro-1H-indol-6-yl-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495318
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
(4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502157

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone (CID 103493768) is (3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone is Cc1c(N)cc(C(=O)N2CCc3ccc(F)cc32)cc1F.
What is the InChIKey of (3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is BMNFMXDWMCWCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-9-13(18)6-11(7-14(9)19)16(21)20-5-4-10-2-3-12(17)8-15(10)20/h2-3,6-8H,4-5,19H2,1H3.
What are the key properties of (3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
(3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 288.30 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 103493768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).