2-(4-bromophenyl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide

C22H26BrNO3 — CID 10972080

IUPAC2-(4-bromophenyl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide
SMILESCCCN(C(=O)Cc1ccc(Br)cc1)C1Cc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C22H26BrNO3/c1-4-9-24(22(25)10-15-5-7-18(23)8-6-15)19-11-16-13-20(26-2)21(27-3)14-17(16)12-19/h5-8,13-14,19H,4,9-12H2,1-3H3
InChIKeyKDGQZMANXLNEFA-UHFFFAOYSA-N
MW432.36 g/mol
LogP4.41
Rot. Bonds7

About 2-(4-bromophenyl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide

2-(4-bromophenyl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide (PubChem CID 10972080) has the molecular formula C22H26BrNO3 and a molecular weight of 432.36 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide
PubChem CID10972080
Molecular FormulaC22H26BrNO3
Molecular Weight432.36 g/mol
Exact Mass431.11
IUPAC Name2-(4-bromophenyl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide
SMILESCCCN(C(=O)Cc1ccc(Br)cc1)C1Cc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C22H26BrNO3/c1-4-9-24(22(25)10-15-5-7-18(23)8-6-15)19-11-16-13-20(26-2)21(27-3)14-17(16)12-19/h5-8,13-14,19H,4,9-12H2,1-3H3
InChIKeyKDGQZMANXLNEFA-UHFFFAOYSA-N
XLogP4.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine
CID 10971805
N-(4-aminocyclohexyl)-2-(4-bromophenyl)-N-propylacetamide
CID 79116903
2-(2-amino-1,3-thiazol-4-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide
CID 10970826
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367
2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide
CID 102872883
N-(5-amino-2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide
CID 10824347
1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 60864985
N-(2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide
CID 19710204
N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
CID 9416450
1-[2-(dipropylamino)-6-methoxy-2,3-dihydro-1H-inden-5-yl]ethanone
CID 19710243
2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119529826
N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 63391425

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide (CID 10972080) is 2-(4-bromophenyl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide is CCCN(C(=O)Cc1ccc(Br)cc1)C1Cc2cc(OC)c(OC)cc2C1.
What is the InChIKey of 2-(4-bromophenyl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide?
The InChIKey is KDGQZMANXLNEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrNO3/c1-4-9-24(22(25)10-15-5-7-18(23)8-6-15)19-11-16-13-20(26-2)21(27-3)14-17(16)12-19/h5-8,13-14,19H,4,9-12H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide?
2-(4-bromophenyl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide has a molecular weight of 432.36 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide is sourced from PubChem (CID 10972080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).