2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide

C16H23BrN2O2 — CID 61063574

IUPAC2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide
SMILESCOc1ccc(Br)cc1NCC(=O)NC1CCCCCC1
InChIInChI=1S/C16H23BrN2O2/c1-21-15-9-8-12(17)10-14(15)18-11-16(20)19-13-6-4-2-3-5-7-13/h8-10,13,18H,2-7,11H2,1H3,(H,19,20)
InChIKeyRGZLUVXNFQWDQZ-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.71
Rot. Bonds5

About 2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide

2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide (PubChem CID 61063574) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide
PubChem CID61063574
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide
SMILESCOc1ccc(Br)cc1NCC(=O)NC1CCCCCC1
InChIInChI=1S/C16H23BrN2O2/c1-21-15-9-8-12(17)10-14(15)18-11-16(20)19-13-6-4-2-3-5-7-13/h8-10,13,18H,2-7,11H2,1H3,(H,19,20)
InChIKeyRGZLUVXNFQWDQZ-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide
CID 81288537
2-(4-bromo-2-chloroanilino)-N-cyclopentylacetamide
CID 43236944
2-(4-bromo-2-fluoroanilino)-N-cyclopentylacetamide
CID 28574766
1-(5-bromo-2-methoxyphenyl)-3-cyclohexylthiourea
CID 115588071
2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide
CID 155293567
2-(5-bromo-2-methoxyanilino)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 86826326
2-(5-bromo-2-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 87030481
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-cyclopentylacetamide
CID 27098608
2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-cyclohexylacetamide
CID 22303956
2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide
CID 107266016
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
CID 19201445

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide?
The IUPAC name of 2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide (CID 61063574) is 2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide?
The canonical SMILES for 2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide is COc1ccc(Br)cc1NCC(=O)NC1CCCCCC1.
What is the InChIKey of 2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide?
The InChIKey is RGZLUVXNFQWDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-21-15-9-8-12(17)10-14(15)18-11-16(20)19-13-6-4-2-3-5-7-13/h8-10,13,18H,2-7,11H2,1H3,(H,19,20).
What are the key properties of 2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide?
2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide has a molecular weight of 355.28 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyanilino)-N-cycloheptylacetamide is sourced from PubChem (CID 61063574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).