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

C19H21BrN2O2 — CID 133166744

IUPAC2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H21BrN2O2/c1-14(24-18-10-4-15(20)5-11-18)19(23)21-16-6-8-17(9-7-16)22-12-2-3-13-22/h4-11,14H,2-3,12-13H2,1H3,(H,21,23)
InChIKeyIAICITVFJKIQEY-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.46
Rot. Bonds5

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

2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 133166744) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID133166744
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H21BrN2O2/c1-14(24-18-10-4-15(20)5-11-18)19(23)21-16-6-8-17(9-7-16)22-12-2-3-13-22/h4-11,14H,2-3,12-13H2,1H3,(H,21,23)
InChIKeyIAICITVFJKIQEY-UHFFFAOYSA-N
XLogP4.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166686
(2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 8002204
2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 51157992
N-[4-(azepan-1-yl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 18291163
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 18268297
(2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 95077718
(2S)-2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100506199
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
(2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550636
4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
CID 18837971
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 133166744) is 2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide is CC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is IAICITVFJKIQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-14(24-18-10-4-15(20)5-11-18)19(23)21-16-6-8-17(9-7-16)22-12-2-3-13-22/h4-11,14H,2-3,12-13H2,1H3,(H,21,23).
What are the key properties of 2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 389.29 g/mol, XLogP of 4.46, 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-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 133166744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).