(2,4-dichloro-5-fluorophenyl)-(5-methylindol-1-yl)methanone

C16H10Cl2FNO — CID 129259210

IUPAC(2,4-dichloro-5-fluorophenyl)-(5-methylindol-1-yl)methanone
SMILESCc1ccc2c(ccn2C(=O)c2cc(F)c(Cl)cc2Cl)c1
InChIInChI=1S/C16H10Cl2FNO/c1-9-2-3-15-10(6-9)4-5-20(15)16(21)11-7-14(19)13(18)8-12(11)17/h2-8H,1H3
InChIKeyHTBGZZAHKDNLQT-UHFFFAOYSA-N
MW322.17 g/mol
LogP5.08
Rot. Bonds1

About (2,4-dichloro-5-fluorophenyl)-(5-methylindol-1-yl)methanone

(2,4-dichloro-5-fluorophenyl)-(5-methylindol-1-yl)methanone (PubChem CID 129259210) has the molecular formula C16H10Cl2FNO and a molecular weight of 322.17 g/mol. Its IUPAC name is (2,4-dichloro-5-fluorophenyl)-(5-methylindol-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dichloro-5-fluorophenyl)-(5-methylindol-1-yl)methanone
PubChem CID129259210
Molecular FormulaC16H10Cl2FNO
Molecular Weight322.17 g/mol
Exact Mass321.01
IUPAC Name(2,4-dichloro-5-fluorophenyl)-(5-methylindol-1-yl)methanone
SMILESCc1ccc2c(ccn2C(=O)c2cc(F)c(Cl)cc2Cl)c1
InChIInChI=1S/C16H10Cl2FNO/c1-9-2-3-15-10(6-9)4-5-20(15)16(21)11-7-14(19)13(18)8-12(11)17/h2-8H,1H3
InChIKeyHTBGZZAHKDNLQT-UHFFFAOYSA-N
XLogP5.08
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.17
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-5-fluorophenyl)-(5-methylindol-1-yl)methanone?
The IUPAC name of (2,4-dichloro-5-fluorophenyl)-(5-methylindol-1-yl)methanone (CID 129259210) is (2,4-dichloro-5-fluorophenyl)-(5-methylindol-1-yl)methanone.
What is the SMILES notation for (2,4-dichloro-5-fluorophenyl)-(5-methylindol-1-yl)methanone?
The canonical SMILES for (2,4-dichloro-5-fluorophenyl)-(5-methylindol-1-yl)methanone is Cc1ccc2c(ccn2C(=O)c2cc(F)c(Cl)cc2Cl)c1.
What is the InChIKey of (2,4-dichloro-5-fluorophenyl)-(5-methylindol-1-yl)methanone?
The InChIKey is HTBGZZAHKDNLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FNO/c1-9-2-3-15-10(6-9)4-5-20(15)16(21)11-7-14(19)13(18)8-12(11)17/h2-8H,1H3.
What are the key properties of (2,4-dichloro-5-fluorophenyl)-(5-methylindol-1-yl)methanone?
(2,4-dichloro-5-fluorophenyl)-(5-methylindol-1-yl)methanone has a molecular weight of 322.17 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-5-fluorophenyl)-(5-methylindol-1-yl)methanone is sourced from PubChem (CID 129259210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).