N-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide

C15H12Br2ClNO2 — CID 53267481

IUPACN-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide
SMILESCC(Oc1cccc(Br)c1)C(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C15H12Br2ClNO2/c1-9(21-12-4-2-3-10(16)7-12)15(20)19-14-6-5-11(17)8-13(14)18/h2-9H,1H3,(H,19,20)
InChIKeyMYUCQCQYZXCFMK-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.27
Rot. Bonds4

About N-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide

N-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide (PubChem CID 53267481) has the molecular formula C15H12Br2ClNO2 and a molecular weight of 433.53 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide
PubChem CID53267481
Molecular FormulaC15H12Br2ClNO2
Molecular Weight433.53 g/mol
Exact Mass430.89
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide
SMILESCC(Oc1cccc(Br)c1)C(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C15H12Br2ClNO2/c1-9(21-12-4-2-3-10(16)7-12)15(20)19-14-6-5-11(17)8-13(14)18/h2-9H,1H3,(H,19,20)
InChIKeyMYUCQCQYZXCFMK-UHFFFAOYSA-N
XLogP5.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53267905
2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide
CID 5189907
(2R)-2-(4-bromophenoxy)-N-(2-chloro-4-methylphenyl)propanamide
CID 7760576
N-(2-amino-4-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 62227599
N-(2-amino-5-chlorophenyl)-2-(3-bromophenoxy)propanamide
CID 43080501
N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide
CID 2930780
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 43081960
N-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203915
(2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1177364
methyl 2-[[(2S)-2-(3-bromophenoxy)propanoyl]amino]benzoate
CID 1177887
2-(3-aminophenoxy)-N-(2-chlorophenyl)propanamide
CID 82027601

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide (CID 53267481) is N-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide is CC(Oc1cccc(Br)c1)C(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide?
The InChIKey is MYUCQCQYZXCFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2ClNO2/c1-9(21-12-4-2-3-10(16)7-12)15(20)19-14-6-5-11(17)8-13(14)18/h2-9H,1H3,(H,19,20).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide?
N-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide has a molecular weight of 433.53 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide is sourced from PubChem (CID 53267481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).