2-(2-bromo-4-chlorophenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide

C20H20BrClN2O3 — CID 17196402

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C20H20BrClN2O3/c1-13(27-18-9-6-15(22)12-17(18)21)19(25)23-16-7-4-14(5-8-16)20(26)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,25)
InChIKeyUGBAMQYDZMFPAI-UHFFFAOYSA-N
MW451.75 g/mol
LogP4.74
Rot. Bonds5

About 2-(2-bromo-4-chlorophenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide

2-(2-bromo-4-chlorophenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide (PubChem CID 17196402) has the molecular formula C20H20BrClN2O3 and a molecular weight of 451.75 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
PubChem CID17196402
Molecular FormulaC20H20BrClN2O3
Molecular Weight451.75 g/mol
Exact Mass450.03
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C20H20BrClN2O3/c1-13(27-18-9-6-15(22)12-17(18)21)19(25)23-16-7-4-14(5-8-16)20(26)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,25)
InChIKeyUGBAMQYDZMFPAI-UHFFFAOYSA-N
XLogP4.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.75
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide
CID 43878151
2-(2-bromo-4-chlorophenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 17205542
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
CID 43080396
2-(2-bromo-4-chlorophenoxy)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 55643696
4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide
CID 42944501
2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 17204918
2-(2-methylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 17196352
2-(2-bromo-4-chlorophenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 46540861
(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728140
2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 4981315
N-[4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]phenyl]butanamide
CID 17202540
2-(2-bromo-4-chlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 4981359

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide (CID 17196402) is 2-(2-bromo-4-chlorophenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide is CC(Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The InChIKey is UGBAMQYDZMFPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrClN2O3/c1-13(27-18-9-6-15(22)12-17(18)21)19(25)23-16-7-4-14(5-8-16)20(26)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,25).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
2-(2-bromo-4-chlorophenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide has a molecular weight of 451.75 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 17196402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).