2-(2-bromo-4-chlorophenoxy)-N-(3-butoxyphenyl)propanamide

C19H21BrClNO3 — CID 17095115

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(3-butoxyphenyl)propanamide
SMILESCCCCOc1cccc(NC(=O)C(C)Oc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C19H21BrClNO3/c1-3-4-10-24-16-7-5-6-15(12-16)22-19(23)13(2)25-18-9-8-14(21)11-17(18)20/h5-9,11-13H,3-4,10H2,1-2H3,(H,22,23)
InChIKeyMBOZFMBSPQCMKG-UHFFFAOYSA-N
MW426.74 g/mol
LogP5.69
Rot. Bonds8

About 2-(2-bromo-4-chlorophenoxy)-N-(3-butoxyphenyl)propanamide

2-(2-bromo-4-chlorophenoxy)-N-(3-butoxyphenyl)propanamide (PubChem CID 17095115) has the molecular formula C19H21BrClNO3 and a molecular weight of 426.74 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(3-butoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(3-butoxyphenyl)propanamide
PubChem CID17095115
Molecular FormulaC19H21BrClNO3
Molecular Weight426.74 g/mol
Exact Mass425.04
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(3-butoxyphenyl)propanamide
SMILESCCCCOc1cccc(NC(=O)C(C)Oc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C19H21BrClNO3/c1-3-4-10-24-16-7-5-6-15(12-16)22-19(23)13(2)25-18-9-8-14(21)11-17(18)20/h5-9,11-13H,3-4,10H2,1-2H3,(H,22,23)
InChIKeyMBOZFMBSPQCMKG-UHFFFAOYSA-N
XLogP5.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.74
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(4-propoxyphenyl)propanamide
CID 4981442
N-[3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]phenyl]butanamide
CID 17187626
2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 54788434
3-bromo-N-(3-butoxyphenyl)-4-propan-2-yloxybenzamide
CID 17095128
2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 17231996
2-(2-bromo-4-chlorophenoxy)-N-(3-butoxypropyl)propanamide
CID 55542671
N-[4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]phenyl]butanamide
CID 17202540
N-(3-hexoxyphenyl)-2-phenoxypropanamide
CID 17094791
2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 17204918
3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide
CID 17231884
2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4951504
N-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 17094785

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(3-butoxyphenyl)propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(3-butoxyphenyl)propanamide (CID 17095115) is 2-(2-bromo-4-chlorophenoxy)-N-(3-butoxyphenyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(3-butoxyphenyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(3-butoxyphenyl)propanamide is CCCCOc1cccc(NC(=O)C(C)Oc2ccc(Cl)cc2Br)c1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(3-butoxyphenyl)propanamide?
The InChIKey is MBOZFMBSPQCMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClNO3/c1-3-4-10-24-16-7-5-6-15(12-16)22-19(23)13(2)25-18-9-8-14(21)11-17(18)20/h5-9,11-13H,3-4,10H2,1-2H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(3-butoxyphenyl)propanamide?
2-(2-bromo-4-chlorophenoxy)-N-(3-butoxyphenyl)propanamide has a molecular weight of 426.74 g/mol, XLogP of 5.69, 8 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-(3-butoxyphenyl)propanamide is sourced from PubChem (CID 17095115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).