(3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone

C15H8Cl2FNO — CID 82874432

IUPAC(3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone
SMILESO=C(c1ccc(F)c(Cl)c1)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C15H8Cl2FNO/c16-10-2-1-3-13-14(10)9(7-19-13)15(20)8-4-5-12(18)11(17)6-8/h1-7,19H
InChIKeyNGIDLXQSBDZFDR-UHFFFAOYSA-N
MW308.14 g/mol
LogP4.84
Rot. Bonds2

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

(3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone (PubChem CID 82874432) has the molecular formula C15H8Cl2FNO and a molecular weight of 308.14 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone
PubChem CID82874432
Molecular FormulaC15H8Cl2FNO
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC Name(3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone
SMILESO=C(c1ccc(F)c(Cl)c1)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C15H8Cl2FNO/c16-10-2-1-3-13-14(10)9(7-19-13)15(20)8-4-5-12(18)11(17)6-8/h1-7,19H
InChIKeyNGIDLXQSBDZFDR-UHFFFAOYSA-N
XLogP4.84
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 107998363
(4-chloro-1H-indol-3-yl)-phenylmethanone
CID 12030231
(3-chlorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82792283
(3-chloro-4-fluorophenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 82875840
(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-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882290
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
(5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 102707056
(3-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428581
(3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 107998441
(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83162948

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone (CID 82874432) is (3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone is O=C(c1ccc(F)c(Cl)c1)c1c[nH]c2cccc(Cl)c12.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone?
The InChIKey is NGIDLXQSBDZFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FNO/c16-10-2-1-3-13-14(10)9(7-19-13)15(20)8-4-5-12(18)11(17)6-8/h1-7,19H.
What are the key properties of (3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone?
(3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone has a molecular weight of 308.14 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone is sourced from PubChem (CID 82874432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).