(2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide

C15H13BrClNO3 — CID 2204043

IUPAC(2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide
SMILESC[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C15H13BrClNO3/c1-9(21-12-5-2-10(16)3-6-12)15(20)18-13-8-11(17)4-7-14(13)19/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1
InChIKeyXTHHUPJCWLNTSF-SECBINFHSA-N
MW370.63 g/mol
LogP4.21
Rot. Bonds4

About (2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide

(2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide (PubChem CID 2204043) has the molecular formula C15H13BrClNO3 and a molecular weight of 370.63 g/mol. Its IUPAC name is (2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide
PubChem CID2204043
Molecular FormulaC15H13BrClNO3
Molecular Weight370.63 g/mol
Exact Mass368.98
IUPAC Name(2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide
SMILESC[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C15H13BrClNO3/c1-9(21-12-5-2-10(16)3-6-12)15(20)18-13-8-11(17)4-7-14(13)19/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1
InChIKeyXTHHUPJCWLNTSF-SECBINFHSA-N
XLogP4.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.63
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide
CID 7959134
2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 56581617
(2R)-2-(4-bromophenoxy)-N-(2-chloro-4-methylphenyl)propanamide
CID 7760576
2-(4-bromophenoxy)-N-(2,5-difluorophenyl)propanamide
CID 18084146
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide
CID 18084152
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 837813
(2S)-N-(5-chloro-2-hydroxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837798
2-(4-chlorophenoxy)-N-(2-hydroxy-4-methylphenyl)propanamide
CID 51166464
2-(4-bromophenoxy)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide
CID 2953802
(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452
N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide
CID 2930780
N-(2-amino-5-chlorophenyl)-2-(3-bromophenoxy)propanamide
CID 43080501

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide?
The IUPAC name of (2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide (CID 2204043) is (2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide is C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of (2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide?
The InChIKey is XTHHUPJCWLNTSF-SECBINFHSA-N. The full InChI is InChI=1S/C15H13BrClNO3/c1-9(21-12-5-2-10(16)3-6-12)15(20)18-13-8-11(17)4-7-14(13)19/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide?
(2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide has a molecular weight of 370.63 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide is sourced from PubChem (CID 2204043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).