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

C15H12ClNO — CID 116596841

IUPAC(4-chlorophenyl)-(2,3-dihydro-1H-indol-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1Cc2ccccc2N1
InChIInChI=1S/C15H12ClNO/c16-12-7-5-10(6-8-12)15(18)14-9-11-3-1-2-4-13(11)17-14/h1-8,14,17H,9H2
InChIKeyAVSUHGLWOHXARW-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.56
Rot. Bonds2

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

(4-chlorophenyl)-(2,3-dihydro-1H-indol-2-yl)methanone (PubChem CID 116596841) 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-2-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(2,3-dihydro-1H-indol-2-yl)methanone
PubChem CID116596841
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name(4-chlorophenyl)-(2,3-dihydro-1H-indol-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1Cc2ccccc2N1
InChIInChI=1S/C15H12ClNO/c16-12-7-5-10(6-8-12)15(18)14-9-11-3-1-2-4-13(11)17-14/h1-8,14,17H,9H2
InChIKeyAVSUHGLWOHXARW-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
(2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61148810
N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76895013
2,3-dihydro-1H-indole-2-carboxylic acid;methanol
CID 174391428
2,3-dihydro-1H-indol-2-yl-(2-fluoro-5-methylphenyl)methanone
CID 116596855
N-(3,5-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216647
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892365
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one
CID 67580634
1-(2,3-dihydro-1H-indol-2-yl)prop-2-yn-1-one
CID 116596892
(2S)-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147929

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2,3-dihydro-1H-indol-2-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(2,3-dihydro-1H-indol-2-yl)methanone (CID 116596841) is (4-chlorophenyl)-(2,3-dihydro-1H-indol-2-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(2,3-dihydro-1H-indol-2-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(2,3-dihydro-1H-indol-2-yl)methanone is O=C(c1ccc(Cl)cc1)C1Cc2ccccc2N1.
What is the InChIKey of (4-chlorophenyl)-(2,3-dihydro-1H-indol-2-yl)methanone?
The InChIKey is AVSUHGLWOHXARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-12-7-5-10(6-8-12)15(18)14-9-11-3-1-2-4-13(11)17-14/h1-8,14,17H,9H2.
What are the key properties of (4-chlorophenyl)-(2,3-dihydro-1H-indol-2-yl)methanone?
(4-chlorophenyl)-(2,3-dihydro-1H-indol-2-yl)methanone has a molecular weight of 257.72 g/mol, XLogP of 3.56, 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-2-yl)methanone is sourced from PubChem (CID 116596841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).