4-bromo-N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]benzamide

C15H11BrClNO3 — CID 34256272

IUPAC4-bromo-N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]benzamide
SMILESO=C(N[C@H](O)C(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrClNO3/c16-11-5-1-10(2-6-11)14(20)18-15(21)13(19)9-3-7-12(17)8-4-9/h1-8,15,21H,(H,18,20)/t15-/m1/s1
InChIKeyUOTUZQGYMONCPX-OAHLLOKOSA-N
MW368.61 g/mol
LogP3.03
Rot. Bonds4

About 4-bromo-N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]benzamide

4-bromo-N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]benzamide (PubChem CID 34256272) has the molecular formula C15H11BrClNO3 and a molecular weight of 368.61 g/mol. Its IUPAC name is 4-bromo-N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]benzamide
PubChem CID34256272
Molecular FormulaC15H11BrClNO3
Molecular Weight368.61 g/mol
Exact Mass366.96
IUPAC Name4-bromo-N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]benzamide
SMILESO=C(N[C@H](O)C(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrClNO3/c16-11-5-1-10(2-6-11)14(20)18-15(21)13(19)9-3-7-12(17)8-4-9/h1-8,15,21H,(H,18,20)/t15-/m1/s1
InChIKeyUOTUZQGYMONCPX-OAHLLOKOSA-N
XLogP3.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide
CID 40598411
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide
CID 3039041
N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide
CID 27349912
4-chloro-N-[(1S)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]benzamide
CID 34317936
4-chloro-N-(1-hydroxy-3,3-dimethyl-2-oxobutyl)benzamide
CID 22761225
ethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate
CID 121220788
4-chloro-N-propan-2-ylbenzamide
CID 24045
N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide
CID 34256707
4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide
CID 15497672
ethyl N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]carbamate
CID 34256262
4-chloro-N-hydroxybenzamide
CID 587178

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]benzamide (CID 34256272) is 4-bromo-N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]benzamide is O=C(N[C@H](O)C(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]benzamide?
The InChIKey is UOTUZQGYMONCPX-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H11BrClNO3/c16-11-5-1-10(2-6-11)14(20)18-15(21)13(19)9-3-7-12(17)8-4-9/h1-8,15,21H,(H,18,20)/t15-/m1/s1.
What are the key properties of 4-bromo-N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]benzamide?
4-bromo-N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]benzamide has a molecular weight of 368.61 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]benzamide is sourced from PubChem (CID 34256272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).