(3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone

C15H10F2N2O — CID 82793459

IUPAC(3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
SMILESNc1cc(C(=O)c2c[nH]c3cccc(F)c23)ccc1F
InChIInChI=1S/C15H10F2N2O/c16-10-5-4-8(6-12(10)18)15(20)9-7-19-13-3-1-2-11(17)14(9)13/h1-7,19H,18H2
InChIKeyVPEPTPMWESBPPY-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.26
Rot. Bonds2

About (3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone

(3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone (PubChem CID 82793459) has the molecular formula C15H10F2N2O and a molecular weight of 272.25 g/mol. Its IUPAC name is (3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
PubChem CID82793459
Molecular FormulaC15H10F2N2O
Molecular Weight272.25 g/mol
Exact Mass272.08
IUPAC Name(3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
SMILESNc1cc(C(=O)c2c[nH]c3cccc(F)c23)ccc1F
InChIInChI=1S/C15H10F2N2O/c16-10-5-4-8(6-12(10)18)15(20)9-7-19-13-3-1-2-11(17)14(9)13/h1-7,19H,18H2
InChIKeyVPEPTPMWESBPPY-UHFFFAOYSA-N
XLogP3.26
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 53.26
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

(3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166137
(3-chlorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82792283
2,3-dihydro-1H-inden-5-yl-(4-fluoro-1H-indol-3-yl)methanone
CID 82782504
(4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone
CID 82793082
(3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 82874432
(3-bromo-5-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82793362
2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid
CID 82782160
(2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82791826
(3-amino-4-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512800
3-(3-amino-4-methylbenzoyl)-1H-indole-4-carbonitrile
CID 107919650
(2,4-dibromophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 107950019
(4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115351557

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of (3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone (CID 82793459) is (3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for (3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone is Nc1cc(C(=O)c2c[nH]c3cccc(F)c23)ccc1F.
What is the InChIKey of (3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone?
The InChIKey is VPEPTPMWESBPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O/c16-10-5-4-8(6-12(10)18)15(20)9-7-19-13-3-1-2-11(17)14(9)13/h1-7,19H,18H2.
What are the key properties of (3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone?
(3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone has a molecular weight of 272.25 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 82793459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).