2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide

C18H19BrClNO3 — CID 4981442

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C18H19BrClNO3/c1-3-10-23-15-7-5-14(6-8-15)21-18(22)12(2)24-17-9-4-13(20)11-16(17)19/h4-9,11-12H,3,10H2,1-2H3,(H,21,22)
InChIKeyXBWOZPOIBGVBQG-UHFFFAOYSA-N
MW412.71 g/mol
LogP5.30
Rot. Bonds7

About 2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide

2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide (PubChem CID 4981442) has the molecular formula C18H19BrClNO3 and a molecular weight of 412.71 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide
PubChem CID4981442
Molecular FormulaC18H19BrClNO3
Molecular Weight412.71 g/mol
Exact Mass411.02
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C18H19BrClNO3/c1-3-10-23-15-7-5-14(6-8-15)21-18(22)12(2)24-17-9-4-13(20)11-16(17)19/h4-9,11-12H,3,10H2,1-2H3,(H,21,22)
InChIKeyXBWOZPOIBGVBQG-UHFFFAOYSA-N
XLogP5.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.71
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(3-butoxyphenyl)propanamide
CID 17095115
N-[4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]phenyl]butanamide
CID 17202540
2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 17204918
N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide
CID 67473723
2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4951504
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
CID 43080396
N-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide
CID 17430448
N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 4939762
2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 17231996
(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

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide (CID 4981442) is 2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide is CCCOc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide?
The InChIKey is XBWOZPOIBGVBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO3/c1-3-10-23-15-7-5-14(6-8-15)21-18(22)12(2)24-17-9-4-13(20)11-16(17)19/h4-9,11-12H,3,10H2,1-2H3,(H,21,22).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide?
2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide has a molecular weight of 412.71 g/mol, XLogP of 5.30, 7 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-propoxyphenyl)propanamide is sourced from PubChem (CID 4981442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).