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

C20H17BrClN3O3 — CID 24664550

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1
InChIInChI=1S/C20H17BrClN3O3/c1-12(28-17-8-5-14(22)11-16(17)21)20(27)24-15-6-3-13(4-7-15)18(26)19-23-9-10-25(19)2/h3-12H,1-2H3,(H,24,27)
InChIKeyFGDPPZKJHDQPSM-UHFFFAOYSA-N
MW462.73 g/mol
LogP4.47
Rot. Bonds6

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

2-(2-bromo-4-chlorophenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide (PubChem CID 24664550) has the molecular formula C20H17BrClN3O3 and a molecular weight of 462.73 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide
PubChem CID24664550
Molecular FormulaC20H17BrClN3O3
Molecular Weight462.73 g/mol
Exact Mass461.01
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1
InChIInChI=1S/C20H17BrClN3O3/c1-12(28-17-8-5-14(22)11-16(17)21)20(27)24-15-6-3-13(4-7-15)18(26)19-23-9-10-25(19)2/h3-12H,1-2H3,(H,24,27)
InChIKeyFGDPPZKJHDQPSM-UHFFFAOYSA-N
XLogP4.47
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.73
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide
CID 25406380
4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide
CID 42944501
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
CID 43080396
2-(2-bromo-4-chlorophenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 17196402
2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 17204918
(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
2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide
CID 4981442
2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 4981351
2-(2-bromo-4-chlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 4981359
(2S)-2-(2,4-dichlorophenoxy)-N-[4-(pyridine-4-carbonyl)phenyl]propanamide
CID 38112522
N-[4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]phenyl]butanamide
CID 17202540

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide (CID 24664550) is 2-(2-bromo-4-chlorophenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide is CC(Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide?
The InChIKey is FGDPPZKJHDQPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrClN3O3/c1-12(28-17-8-5-14(22)11-16(17)21)20(27)24-15-6-3-13(4-7-15)18(26)19-23-9-10-25(19)2/h3-12H,1-2H3,(H,24,27).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide?
2-(2-bromo-4-chlorophenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide has a molecular weight of 462.73 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide is sourced from PubChem (CID 24664550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).