3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-4-ethoxy-5-methoxy-N-methylbenzamide

C20H22ClNO3 — CID 55539623

IUPAC3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-4-ethoxy-5-methoxy-N-methylbenzamide
SMILESCCOc1c(Cl)cc(C(=O)N(C)C2CCc3ccccc32)cc1OC
InChIInChI=1S/C20H22ClNO3/c1-4-25-19-16(21)11-14(12-18(19)24-3)20(23)22(2)17-10-9-13-7-5-6-8-15(13)17/h5-8,11-12,17H,4,9-10H2,1-3H3
InChIKeyAGEVCWQZOXUZPK-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.51
Rot. Bonds5

About 3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-4-ethoxy-5-methoxy-N-methylbenzamide

3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-4-ethoxy-5-methoxy-N-methylbenzamide (PubChem CID 55539623) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-4-ethoxy-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-4-ethoxy-5-methoxy-N-methylbenzamide
PubChem CID55539623
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-4-ethoxy-5-methoxy-N-methylbenzamide
SMILESCCOc1c(Cl)cc(C(=O)N(C)C2CCc3ccccc32)cc1OC
InChIInChI=1S/C20H22ClNO3/c1-4-25-19-16(21)11-14(12-18(19)24-3)20(23)22(2)17-10-9-13-7-5-6-8-15(13)17/h5-8,11-12,17H,4,9-10H2,1-3H3
InChIKeyAGEVCWQZOXUZPK-UHFFFAOYSA-N
XLogP4.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxy-N-methyl-4-phenylmethoxybenzamide
CID 55534185
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 81295054
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889
2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid
CID 119195213
3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 112790252
3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43578962
[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 55364946
4-(2-amino-2-oxoethoxy)-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-methoxybenzamide
CID 51316375
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43575493
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 8001354
2-(4-cyano-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 134053335
2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119189491

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-4-ethoxy-5-methoxy-N-methylbenzamide?
The IUPAC name of 3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-4-ethoxy-5-methoxy-N-methylbenzamide (CID 55539623) is 3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-4-ethoxy-5-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-4-ethoxy-5-methoxy-N-methylbenzamide?
The canonical SMILES for 3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-4-ethoxy-5-methoxy-N-methylbenzamide is CCOc1c(Cl)cc(C(=O)N(C)C2CCc3ccccc32)cc1OC.
What is the InChIKey of 3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-4-ethoxy-5-methoxy-N-methylbenzamide?
The InChIKey is AGEVCWQZOXUZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-4-25-19-16(21)11-14(12-18(19)24-3)20(23)22(2)17-10-9-13-7-5-6-8-15(13)17/h5-8,11-12,17H,4,9-10H2,1-3H3.
What are the key properties of 3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-4-ethoxy-5-methoxy-N-methylbenzamide?
3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-4-ethoxy-5-methoxy-N-methylbenzamide has a molecular weight of 359.85 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-4-ethoxy-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 55539623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).