(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone

C16H14ClNO2 — CID 116554235

IUPAC(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone
SMILESCOc1cc(C(=O)c2ccc3c(c2)CCN3)ccc1Cl
InChIInChI=1S/C16H14ClNO2/c1-20-15-9-12(2-4-13(15)17)16(19)11-3-5-14-10(8-11)6-7-18-14/h2-5,8-9,18H,6-7H2,1H3
InChIKeyKIHYUHPJISDENE-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.55
Rot. Bonds3

About (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone

(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone (PubChem CID 116554235) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone
PubChem CID116554235
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone
SMILESCOc1cc(C(=O)c2ccc3c(c2)CCN3)ccc1Cl
InChIInChI=1S/C16H14ClNO2/c1-20-15-9-12(2-4-13(15)17)16(19)11-3-5-14-10(8-11)6-7-18-14/h2-5,8-9,18H,6-7H2,1H3
InChIKeyKIHYUHPJISDENE-UHFFFAOYSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone
CID 116554163
(5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554437
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
2,3-dihydro-1H-indol-5-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114668397
2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone
CID 116554112
(3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 116551045
3-(2,3-dihydro-1H-indol-5-yl)-4-methoxybenzoic acid
CID 82039141
(2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554428
2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone
CID 116554090
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone
CID 116554126
2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride
CID 56766314

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone (CID 116554235) is (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone is COc1cc(C(=O)c2ccc3c(c2)CCN3)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone?
The InChIKey is KIHYUHPJISDENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-20-15-9-12(2-4-13(15)17)16(19)11-3-5-14-10(8-11)6-7-18-14/h2-5,8-9,18H,6-7H2,1H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone?
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone has a molecular weight of 287.75 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone is sourced from PubChem (CID 116554235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).