2-[4-bromo-2-[(cyclopentylamino)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide

C21H25BrN2O3 — CID 979929

IUPAC2-[4-bromo-2-[(cyclopentylamino)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(Br)cc1CNC1CCCC1
InChIInChI=1S/C21H25BrN2O3/c1-26-20-9-5-4-8-18(20)24-21(25)14-27-19-11-10-16(22)12-15(19)13-23-17-6-2-3-7-17/h4-5,8-12,17,23H,2-3,6-7,13-14H2,1H3,(H,24,25)
InChIKeyVNMBVIIYAFWSOI-UHFFFAOYSA-N
MW433.35 g/mol
LogP4.51
Rot. Bonds8

About 2-[4-bromo-2-[(cyclopentylamino)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide

2-[4-bromo-2-[(cyclopentylamino)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide (PubChem CID 979929) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is 2-[4-bromo-2-[(cyclopentylamino)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-2-[(cyclopentylamino)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
PubChem CID979929
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC Name2-[4-bromo-2-[(cyclopentylamino)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(Br)cc1CNC1CCCC1
InChIInChI=1S/C21H25BrN2O3/c1-26-20-9-5-4-8-18(20)24-21(25)14-27-19-11-10-16(22)12-15(19)13-23-17-6-2-3-7-17/h4-5,8-12,17,23H,2-3,6-7,13-14H2,1H3,(H,24,25)
InChIKeyVNMBVIIYAFWSOI-UHFFFAOYSA-N
XLogP4.51
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
2-[4-bromo-2-[(cycloheptylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride
CID 17053952
5-bromo-2-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 2164227
2-[2-bromo-4-[(cyclopentylamino)methyl]-6-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 2236530
methyl (4R)-4-[5-bromo-2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 27136522
2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 43277676
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-cyclopropylacetamide
CID 43277622
N-(5-bromo-2-methoxyphenyl)-2-phenoxyacetamide
CID 47317656
N-(5-bromo-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 55905124
1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224255
2-[2-[(cyclohexylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 2164253
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cycloheptanamine
CID 4720524

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[(cyclopentylamino)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-bromo-2-[(cyclopentylamino)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide (CID 979929) is 2-[4-bromo-2-[(cyclopentylamino)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-bromo-2-[(cyclopentylamino)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-bromo-2-[(cyclopentylamino)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)COc1ccc(Br)cc1CNC1CCCC1.
What is the InChIKey of 2-[4-bromo-2-[(cyclopentylamino)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide?
The InChIKey is VNMBVIIYAFWSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-26-20-9-5-4-8-18(20)24-21(25)14-27-19-11-10-16(22)12-15(19)13-23-17-6-2-3-7-17/h4-5,8-12,17,23H,2-3,6-7,13-14H2,1H3,(H,24,25).
What are the key properties of 2-[4-bromo-2-[(cyclopentylamino)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide?
2-[4-bromo-2-[(cyclopentylamino)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide has a molecular weight of 433.35 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[(cyclopentylamino)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 979929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).