4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide

C20H25BrN2O3 — CID 51952483

IUPAC4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
SMILESO=C(CCCOc1ccccc1Br)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C20H25BrN2O3/c21-16-7-1-2-8-18(16)25-14-6-10-20(24)22-15-17(19-9-5-13-26-19)23-11-3-4-12-23/h1-2,5,7-9,13,17H,3-4,6,10-12,14-15H2,(H,22,24)/t17-/m0/s1
InChIKeyWDIVMWBXCUXOJH-KRWDZBQOSA-N
MW421.34 g/mol
LogP4.15
Rot. Bonds9

About 4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide

4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide (PubChem CID 51952483) has the molecular formula C20H25BrN2O3 and a molecular weight of 421.34 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide.

Molecular Properties

Compound Name4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
PubChem CID51952483
Molecular FormulaC20H25BrN2O3
Molecular Weight421.34 g/mol
Exact Mass420.10
IUPAC Name4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
SMILESO=C(CCCOc1ccccc1Br)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C20H25BrN2O3/c21-16-7-1-2-8-18(16)25-14-6-10-20(24)22-15-17(19-9-5-13-26-19)23-11-3-4-12-23/h1-2,5,7-9,13,17H,3-4,6,10-12,14-15H2,(H,22,24)/t17-/m0/s1
InChIKeyWDIVMWBXCUXOJH-KRWDZBQOSA-N
XLogP4.15
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide
CID 134018677
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide
CID 51162656
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 55204450
2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 41111766
4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide
CID 55928920
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 7780304
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
CID 26834283
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
N-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide
CID 46522317
N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-phenoxybutanamide
CID 112503523

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide?
The IUPAC name of 4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide (CID 51952483) is 4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide.
What is the SMILES notation for 4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide?
The canonical SMILES for 4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide is O=C(CCCOc1ccccc1Br)NC[C@@H](c1ccco1)N1CCCC1.
What is the InChIKey of 4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide?
The InChIKey is WDIVMWBXCUXOJH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25BrN2O3/c21-16-7-1-2-8-18(16)25-14-6-10-20(24)22-15-17(19-9-5-13-26-19)23-11-3-4-12-23/h1-2,5,7-9,13,17H,3-4,6,10-12,14-15H2,(H,22,24)/t17-/m0/s1.
What are the key properties of 4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide?
4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide has a molecular weight of 421.34 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide is sourced from PubChem (CID 51952483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).