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

C16H13FN2O2 — CID 83166137

IUPAC(3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3ccc(F)c(N)c3)c12
InChIInChI=1S/C16H13FN2O2/c1-21-14-4-2-3-13-15(14)10(8-19-13)16(20)9-5-6-11(17)12(18)7-9/h2-8,19H,18H2,1H3
InChIKeyYFBDGHPWGDVXAS-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.13
Rot. Bonds3

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

(3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone (PubChem CID 83166137) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is (3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
PubChem CID83166137
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name(3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3ccc(F)c(N)c3)c12
InChIInChI=1S/C16H13FN2O2/c1-21-14-4-2-3-13-15(14)10(8-19-13)16(20)9-5-6-11(17)12(18)7-9/h2-8,19H,18H2,1H3
InChIKeyYFBDGHPWGDVXAS-UHFFFAOYSA-N
XLogP3.13
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-amino-4-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82793459
(4-chloro-3-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107998406
(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83162948
(2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166276
(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164240
(2-amino-4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166272
(4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115351557
(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 83163567
(3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164261
(3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107950029
(2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164227
methyl 2-(4-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 53419524

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of (3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone (CID 83166137) is (3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone is COc1cccc2[nH]cc(C(=O)c3ccc(F)c(N)c3)c12.
What is the InChIKey of (3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The InChIKey is YFBDGHPWGDVXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-21-14-4-2-3-13-15(14)10(8-19-13)16(20)9-5-6-11(17)12(18)7-9/h2-8,19H,18H2,1H3.
What are the key properties of (3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
(3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone has a molecular weight of 284.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 83166137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).