(4-chlorophenyl)-(2,3-dihydro-1H-indol-7-yl)methanone

C15H12ClNO — CID 13408232

IUPAC(4-chlorophenyl)-(2,3-dihydro-1H-indol-7-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cccc2c1NCC2
InChIInChI=1S/C15H12ClNO/c16-12-6-4-11(5-7-12)15(18)13-3-1-2-10-8-9-17-14(10)13/h1-7,17H,8-9H2
InChIKeyZSHLAMNVYONNDW-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.54
Rot. Bonds2

About (4-chlorophenyl)-(2,3-dihydro-1H-indol-7-yl)methanone

(4-chlorophenyl)-(2,3-dihydro-1H-indol-7-yl)methanone (PubChem CID 13408232) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is (4-chlorophenyl)-(2,3-dihydro-1H-indol-7-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(2,3-dihydro-1H-indol-7-yl)methanone
PubChem CID13408232
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name(4-chlorophenyl)-(2,3-dihydro-1H-indol-7-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cccc2c1NCC2
InChIInChI=1S/C15H12ClNO/c16-12-6-4-11(5-7-12)15(18)13-3-1-2-10-8-9-17-14(10)13/h1-7,17H,8-9H2
InChIKeyZSHLAMNVYONNDW-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2,3-dihydro-1H-indol-7-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(2,3-dihydro-1H-indol-7-yl)methanone (CID 13408232) is (4-chlorophenyl)-(2,3-dihydro-1H-indol-7-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(2,3-dihydro-1H-indol-7-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(2,3-dihydro-1H-indol-7-yl)methanone is O=C(c1ccc(Cl)cc1)c1cccc2c1NCC2.
What is the InChIKey of (4-chlorophenyl)-(2,3-dihydro-1H-indol-7-yl)methanone?
The InChIKey is ZSHLAMNVYONNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-12-6-4-11(5-7-12)15(18)13-3-1-2-10-8-9-17-14(10)13/h1-7,17H,8-9H2.
What are the key properties of (4-chlorophenyl)-(2,3-dihydro-1H-indol-7-yl)methanone?
(4-chlorophenyl)-(2,3-dihydro-1H-indol-7-yl)methanone has a molecular weight of 257.72 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2,3-dihydro-1H-indol-7-yl)methanone is sourced from PubChem (CID 13408232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).