2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide

C18H18BrClN2O3 — CID 17204918

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C18H18BrClN2O3/c1-3-17(23)21-13-5-7-14(8-6-13)22-18(24)11(2)25-16-9-4-12(20)10-15(16)19/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOBYXVVHQTGUODK-UHFFFAOYSA-N
MW425.71 g/mol
LogP4.86
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide

2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide (PubChem CID 17204918) has the molecular formula C18H18BrClN2O3 and a molecular weight of 425.71 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide
PubChem CID17204918
Molecular FormulaC18H18BrClN2O3
Molecular Weight425.71 g/mol
Exact Mass424.02
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C18H18BrClN2O3/c1-3-17(23)21-13-5-7-14(8-6-13)22-18(24)11(2)25-16-9-4-12(20)10-15(16)19/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOBYXVVHQTGUODK-UHFFFAOYSA-N
XLogP4.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.71
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]phenyl]butanamide
CID 17202540
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
CID 43080396
2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide
CID 4981442
N-[3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]phenyl]butanamide
CID 17187626
(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-nitrophenyl)propanamide
CID 4981359
2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 17231996
2-(2-bromo-4-chlorophenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 46540861
4-[2-[2-(2-bromo-4-chlorophenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4981485
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
N-[2-chloro-5-(propanoylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 3252101

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide (CID 17204918) is 2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide?
The InChIKey is OBYXVVHQTGUODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O3/c1-3-17(23)21-13-5-7-14(8-6-13)22-18(24)11(2)25-16-9-4-12(20)10-15(16)19/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide?
2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide has a molecular weight of 425.71 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide is sourced from PubChem (CID 17204918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).