(3-chloro-4-ethoxy-5-methoxyphenyl)-(7-methyl-2,3-dihydroindol-1-yl)methanone

C19H20ClNO3 — CID 112835683

IUPAC(3-chloro-4-ethoxy-5-methoxyphenyl)-(7-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCCOc1c(Cl)cc(C(=O)N2CCc3cccc(C)c32)cc1OC
InChIInChI=1S/C19H20ClNO3/c1-4-24-18-15(20)10-14(11-16(18)23-3)19(22)21-9-8-13-7-5-6-12(2)17(13)21/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyBKNVIECGUKHEOK-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.26
Rot. Bonds4

About (3-chloro-4-ethoxy-5-methoxyphenyl)-(7-methyl-2,3-dihydroindol-1-yl)methanone

(3-chloro-4-ethoxy-5-methoxyphenyl)-(7-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 112835683) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is (3-chloro-4-ethoxy-5-methoxyphenyl)-(7-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-ethoxy-5-methoxyphenyl)-(7-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID112835683
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name(3-chloro-4-ethoxy-5-methoxyphenyl)-(7-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCCOc1c(Cl)cc(C(=O)N2CCc3cccc(C)c32)cc1OC
InChIInChI=1S/C19H20ClNO3/c1-4-24-18-15(20)10-14(11-16(18)23-3)19(22)21-9-8-13-7-5-6-12(2)17(13)21/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyBKNVIECGUKHEOK-UHFFFAOYSA-N
XLogP4.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-chloro-4-ethoxy-5-methoxyphenyl)-(7-methyl-2,3-dihydroindol-1-yl)methanone with MolForge

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Related Compounds

(3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 51289133
8-methyl-1-(3,4,5-triethoxybenzoyl)-2,3-dihydroquinolin-4-one
CID 110635496
2-[2-chloro-6-methoxy-4-(6-methyl-2,3-dihydroindole-1-carbonyl)phenoxy]acetamide
CID 86873010
(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 110636985
(3-chloro-4-ethoxy-5-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 78768166
(3-chloro-4-ethoxy-5-methoxyphenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 17476571
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
(3-chloro-4-ethoxy-5-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 31327621
1-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperidine-4-carboxylic acid
CID 45427120
(7-methyl-2,3-dihydroindol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 112835706
1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 23566601
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 7684131

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-ethoxy-5-methoxyphenyl)-(7-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-chloro-4-ethoxy-5-methoxyphenyl)-(7-methyl-2,3-dihydroindol-1-yl)methanone (CID 112835683) is (3-chloro-4-ethoxy-5-methoxyphenyl)-(7-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-chloro-4-ethoxy-5-methoxyphenyl)-(7-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-chloro-4-ethoxy-5-methoxyphenyl)-(7-methyl-2,3-dihydroindol-1-yl)methanone is CCOc1c(Cl)cc(C(=O)N2CCc3cccc(C)c32)cc1OC.
What is the InChIKey of (3-chloro-4-ethoxy-5-methoxyphenyl)-(7-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is BKNVIECGUKHEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-4-24-18-15(20)10-14(11-16(18)23-3)19(22)21-9-8-13-7-5-6-12(2)17(13)21/h5-7,10-11H,4,8-9H2,1-3H3.
What are the key properties of (3-chloro-4-ethoxy-5-methoxyphenyl)-(7-methyl-2,3-dihydroindol-1-yl)methanone?
(3-chloro-4-ethoxy-5-methoxyphenyl)-(7-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 345.83 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-ethoxy-5-methoxyphenyl)-(7-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 112835683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).