2-bromo-N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide

C21H24BrNO2 — CID 44582885

IUPAC2-bromo-N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)C(CCNC(=O)CBr)CC(c1ccccc1)C2
InChIInChI=1S/C21H24BrNO2/c1-25-19-8-7-16-11-18(15-5-3-2-4-6-15)12-17(20(16)13-19)9-10-23-21(24)14-22/h2-8,13,17-18H,9-12,14H2,1H3,(H,23,24)
InChIKeyUWRHMVCXDIBTAL-UHFFFAOYSA-N
MW402.33 g/mol
LogP4.41
Rot. Bonds6

About 2-bromo-N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide

2-bromo-N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide (PubChem CID 44582885) has the molecular formula C21H24BrNO2 and a molecular weight of 402.33 g/mol. Its IUPAC name is 2-bromo-N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
PubChem CID44582885
Molecular FormulaC21H24BrNO2
Molecular Weight402.33 g/mol
Exact Mass401.10
IUPAC Name2-bromo-N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)C(CCNC(=O)CBr)CC(c1ccccc1)C2
InChIInChI=1S/C21H24BrNO2/c1-25-19-8-7-16-11-18(15-5-3-2-4-6-15)12-17(20(16)13-19)9-10-23-21(24)14-22/h2-8,13,17-18H,9-12,14H2,1H3,(H,23,24)
InChIKeyUWRHMVCXDIBTAL-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.33
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(1S,3S)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide
CID 102013000
4-[3-(furan-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylbutanamide
CID 22133248
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide
CID 142703369
N-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 25270486
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide
CID 54317020
ethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate
CID 10567004
2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethylcarbamic acid
CID 68730092
N-[2-(7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)ethyl]acetamide
CID 70019613
N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 22922683
(1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine
CID 10562844
N-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
CID 44582585
N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide
CID 22922665

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of 2-bromo-N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide (CID 44582885) is 2-bromo-N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-bromo-N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-bromo-N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide is COc1ccc2c(c1)C(CCNC(=O)CBr)CC(c1ccccc1)C2.
What is the InChIKey of 2-bromo-N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide?
The InChIKey is UWRHMVCXDIBTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrNO2/c1-25-19-8-7-16-11-18(15-5-3-2-4-6-15)12-17(20(16)13-19)9-10-23-21(24)14-22/h2-8,13,17-18H,9-12,14H2,1H3,(H,23,24).
What are the key properties of 2-bromo-N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide?
2-bromo-N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide has a molecular weight of 402.33 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 44582885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).