2-(4-bromophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide

C18H19BrN2O2 — CID 1308633

IUPAC2-(4-bromophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccccc1N1CCCC1
InChIInChI=1S/C18H19BrN2O2/c19-14-7-9-15(10-8-14)23-13-18(22)20-16-5-1-2-6-17(16)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,22)
InChIKeyHXLORCCUTIJZQD-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.07
Rot. Bonds5

About 2-(4-bromophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide

2-(4-bromophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 1308633) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID1308633
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name2-(4-bromophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1ccccc1N1CCCC1
InChIInChI=1S/C18H19BrN2O2/c19-14-7-9-15(10-8-14)23-13-18(22)20-16-5-1-2-6-17(16)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,22)
InChIKeyHXLORCCUTIJZQD-UHFFFAOYSA-N
XLogP4.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160214
4-[2-(4-Bromophenoxy)acetyl]-1,2,3,4-tetrahydroquinoxalin-2-one
CID 2787080
N-(5-Methoxy-2-pyrrolidin-1-yl-phenyl)-2-phenoxy-acetamide
CID 6496962
2-phenoxy-N-[2-(pyrrolidin-1-yl)phenyl]butanamide
CID 24817934
2-(3-bromophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
CID 3946415
N-(4-acetamidophenyl)-2-phenoxy-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 44580031
N-(4-bromophenyl)-2-phenoxyacetamide
CID 302755
2-(4-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 979201
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide
CID 1017652
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 1253482
1-[3-(4-bromophenoxy)propyl]-3-methyl-1,3-dihydro-2H-benzimidazol-2-one
CID 2219371
2-(2-bromo-4-fluorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2627522

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide (CID 1308633) is 2-(4-bromophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide is O=C(COc1ccc(Br)cc1)Nc1ccccc1N1CCCC1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is HXLORCCUTIJZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c19-14-7-9-15(10-8-14)23-13-18(22)20-16-5-1-2-6-17(16)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,22).
What are the key properties of 2-(4-bromophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
2-(4-bromophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 375.27 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 1308633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).