2-chloro-1-(2-phenyl-1H-indol-3-yl)propan-1-one

C17H14ClNO — CID 43140038

IUPAC2-chloro-1-(2-phenyl-1H-indol-3-yl)propan-1-one
SMILESCC(Cl)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C17H14ClNO/c1-11(18)17(20)15-13-9-5-6-10-14(13)19-16(15)12-7-3-2-4-8-12/h2-11,19H,1H3
InChIKeyWIIMNMKYIREPRV-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.64
Rot. Bonds3

About 2-chloro-1-(2-phenyl-1H-indol-3-yl)propan-1-one

2-chloro-1-(2-phenyl-1H-indol-3-yl)propan-1-one (PubChem CID 43140038) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-1-(2-phenyl-1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-chloro-1-(2-phenyl-1H-indol-3-yl)propan-1-one
PubChem CID43140038
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name2-chloro-1-(2-phenyl-1H-indol-3-yl)propan-1-one
SMILESCC(Cl)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C17H14ClNO/c1-11(18)17(20)15-13-9-5-6-10-14(13)19-16(15)12-7-3-2-4-8-12/h2-11,19H,1H3
InChIKeyWIIMNMKYIREPRV-UHFFFAOYSA-N
XLogP4.64
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-chloro-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 2405282
2-[(2-phenyl-1H-indol-3-yl)sulfanyl]propanoic acid
CID 71364656
2-propan-2-yl-1H-indole-3-carboxylic acid
CID 84671443
methyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate
CID 146165176
(Z)-3-(4-chloroanilino)-1-(2-phenyl-1H-indol-3-yl)but-2-en-1-one
CID 6446543
1-(2-phenyl-1H-indol-3-yl)propan-2-one
CID 83780172
2-oxo-2-(2-propan-2-yl-1H-indol-3-yl)acetic acid
CID 69267464
1-(2-methylpropyl)-3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]imidazolidine-2,4,5-trione
CID 7557969
ethyl (E)-3-(2-phenyl-1H-indol-3-yl)but-2-enoate
CID 135019342
CID 170645730
CID 170645730
2-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 43161219
1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 7277959

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-phenyl-1H-indol-3-yl)propan-1-one?
The IUPAC name of 2-chloro-1-(2-phenyl-1H-indol-3-yl)propan-1-one (CID 43140038) is 2-chloro-1-(2-phenyl-1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 2-chloro-1-(2-phenyl-1H-indol-3-yl)propan-1-one?
The canonical SMILES for 2-chloro-1-(2-phenyl-1H-indol-3-yl)propan-1-one is CC(Cl)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 2-chloro-1-(2-phenyl-1H-indol-3-yl)propan-1-one?
The InChIKey is WIIMNMKYIREPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-11(18)17(20)15-13-9-5-6-10-14(13)19-16(15)12-7-3-2-4-8-12/h2-11,19H,1H3.
What are the key properties of 2-chloro-1-(2-phenyl-1H-indol-3-yl)propan-1-one?
2-chloro-1-(2-phenyl-1H-indol-3-yl)propan-1-one has a molecular weight of 283.76 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-phenyl-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 43140038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).