2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide

C18H26BrNO2 — CID 19201484

IUPAC2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide
SMILESCCCc1ccc(OCC(=O)NC2CCCCCC2)c(Br)c1
InChIInChI=1S/C18H26BrNO2/c1-2-7-14-10-11-17(16(19)12-14)22-13-18(21)20-15-8-5-3-4-6-9-15/h10-12,15H,2-9,13H2,1H3,(H,20,21)
InChIKeyKXLLBTBFPAJPLJ-UHFFFAOYSA-N
MW368.32 g/mol
LogP4.62
Rot. Bonds6

About 2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide

2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide (PubChem CID 19201484) has the molecular formula C18H26BrNO2 and a molecular weight of 368.32 g/mol. Its IUPAC name is 2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide
PubChem CID19201484
Molecular FormulaC18H26BrNO2
Molecular Weight368.32 g/mol
Exact Mass367.11
IUPAC Name2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide
SMILESCCCc1ccc(OCC(=O)NC2CCCCCC2)c(Br)c1
InChIInChI=1S/C18H26BrNO2/c1-2-7-14-10-11-17(16(19)12-14)22-13-18(21)20-15-8-5-3-4-6-9-15/h10-12,15H,2-9,13H2,1H3,(H,20,21)
InChIKeyKXLLBTBFPAJPLJ-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
4-(2-bromo-4-ethylphenoxy)-N-cyclohexylbutanamide
CID 19201332
2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide
CID 893611
2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
CID 19201445
2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-cyclopropylacetamide
CID 63062862
1-(azepan-1-yl)-2-(2-bromo-4-propylphenoxy)ethanone
CID 19201423
2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide
CID 65430153
2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide
CID 19201978
N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide
CID 99949717
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17170552
3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide
CID 46567913
[2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 4516239

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide?
The IUPAC name of 2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide (CID 19201484) is 2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide?
The canonical SMILES for 2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide is CCCc1ccc(OCC(=O)NC2CCCCCC2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide?
The InChIKey is KXLLBTBFPAJPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO2/c1-2-7-14-10-11-17(16(19)12-14)22-13-18(21)20-15-8-5-3-4-6-9-15/h10-12,15H,2-9,13H2,1H3,(H,20,21).
What are the key properties of 2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide?
2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide has a molecular weight of 368.32 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide is sourced from PubChem (CID 19201484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).