2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

C15H13BrClNO2 — CID 103945177

IUPAC2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1ccc(Cl)cc1Br
InChIInChI=1S/C15H13BrClNO2/c16-13-8-11(17)6-7-12(13)15(20)18-14(9-19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20)/t14-/m1/s1
InChIKeyGTJKHAFVOIXBJD-CQSZACIVSA-N
MW354.63 g/mol
LogP3.57
Rot. Bonds4

About 2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 103945177) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
PubChem CID103945177
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1ccc(Cl)cc1Br
InChIInChI=1S/C15H13BrClNO2/c16-13-8-11(17)6-7-12(13)15(20)18-14(9-19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20)/t14-/m1/s1
InChIKeyGTJKHAFVOIXBJD-CQSZACIVSA-N
XLogP3.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-chloro-N-(1-phenylbutyl)benzamide
CID 107988137
4-chloro-2-hydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182530
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
4-chloro-N-(2-hydroxy-1-phenylethyl)-2-nitrobenzamide
CID 110931048
5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772690
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 104920633
2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367
N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide
CID 114311124
1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide
CID 10044629
(2S)-2-[(2-bromo-4-chlorobenzoyl)amino]propanoic acid
CID 103821374

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The IUPAC name of 2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (CID 103945177) is 2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is O=C(N[C@H](CO)c1ccccc1)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The InChIKey is GTJKHAFVOIXBJD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c16-13-8-11(17)6-7-12(13)15(20)18-14(9-19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20)/t14-/m1/s1.
What are the key properties of 2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 354.63 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 103945177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).