(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone

C16H14ClNO2 — CID 110714075

IUPAC(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc2c(c1)CCN2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO2/c1-20-14-6-7-15-12(10-14)8-9-18(15)16(19)11-2-4-13(17)5-3-11/h2-7,10H,8-9H2,1H3
InChIKeySOOIFUQXYWCPGX-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.55
Rot. Bonds2

About (4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone

(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone (PubChem CID 110714075) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone
PubChem CID110714075
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc2c(c1)CCN2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO2/c1-20-14-6-7-15-12(10-14)8-9-18(15)16(19)11-2-4-13(17)5-3-11/h2-7,10H,8-9H2,1H3
InChIKeySOOIFUQXYWCPGX-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone
CID 52795317
[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 53212554
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 18122068
1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737350
N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 46636161
[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 44624183
1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone
CID 122143793
(4-chlorophenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314261
2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
CID 687165
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 53092587
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 83624052

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone (CID 110714075) is (4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone is COc1ccc2c(c1)CCN2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone?
The InChIKey is SOOIFUQXYWCPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-20-14-6-7-15-12(10-14)8-9-18(15)16(19)11-2-4-13(17)5-3-11/h2-7,10H,8-9H2,1H3.
What are the key properties of (4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone?
(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone has a molecular weight of 287.75 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 110714075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).