(5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone

C16H11ClFNO2 — CID 102882260

IUPAC(5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3ccc(Cl)cc23)c(F)c1
InChIInChI=1S/C16H11ClFNO2/c1-21-10-3-4-11(14(18)7-10)16(20)13-8-19-15-5-2-9(17)6-12(13)15/h2-8,19H,1H3
InChIKeyGBDZSCWTTLWTCZ-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.20
Rot. Bonds3

About (5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone

(5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 102882260) has the molecular formula C16H11ClFNO2 and a molecular weight of 303.72 g/mol. Its IUPAC name is (5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID102882260
Molecular FormulaC16H11ClFNO2
Molecular Weight303.72 g/mol
Exact Mass303.05
IUPAC Name(5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c[nH]c3ccc(Cl)cc23)c(F)c1
InChIInChI=1S/C16H11ClFNO2/c1-21-10-3-4-11(14(18)7-10)16(20)13-8-19-15-5-2-9(17)6-12(13)15/h2-8,19H,1H3
InChIKeyGBDZSCWTTLWTCZ-UHFFFAOYSA-N
XLogP4.20
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone with MolForge

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Related Compounds

(4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882290
(5-chloro-2-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561116
1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone
CID 63879051
(4-fluoro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882312
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
(5-chloro-1H-indol-3-yl)-(3,5-difluorophenyl)methanone
CID 63878183
(5-chloro-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101343
N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
(5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone
CID 79215184
(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340488

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone (CID 102882260) is (5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c[nH]c3ccc(Cl)cc23)c(F)c1.
What is the InChIKey of (5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is GBDZSCWTTLWTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2/c1-21-10-3-4-11(14(18)7-10)16(20)13-8-19-15-5-2-9(17)6-12(13)15/h2-8,19H,1H3.
What are the key properties of (5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone?
(5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 303.72 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 102882260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).