3-bromo-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide

C15H13BrClNO2 — CID 103842939

IUPAC3-bromo-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
SMILESO=C(NCC(O)c1ccccc1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H13BrClNO2/c16-12-8-11(6-7-13(12)17)15(20)18-9-14(19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20)
InChIKeyMUNAPRVYISWSTO-UHFFFAOYSA-N
MW354.63 g/mol
LogP3.57
Rot. Bonds4

About 3-bromo-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide

3-bromo-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide (PubChem CID 103842939) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
PubChem CID103842939
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name3-bromo-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
SMILESO=C(NCC(O)c1ccccc1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H13BrClNO2/c16-12-8-11(6-7-13(12)17)15(20)18-9-14(19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20)
InChIKeyMUNAPRVYISWSTO-UHFFFAOYSA-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

3-[(3-bromo-4-chlorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107997968
4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 6936176
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103842950
3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 59803164
4-chloro-N-[(2S)-2-hydroxy-2-phenylethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 7378013
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
5-[(3-bromo-4-chlorobenzoyl)amino]pentanoic acid
CID 107997905
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-hydroxy-2-phenylethyl)benzamide
CID 55376093
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide
CID 93033692
3-bromo-N-(4-bromo-2-ethylbutyl)-4-chlorobenzamide
CID 107994072

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide (CID 103842939) is 3-bromo-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide is O=C(NCC(O)c1ccccc1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide?
The InChIKey is MUNAPRVYISWSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c16-12-8-11(6-7-13(12)17)15(20)18-9-14(19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20).
What are the key properties of 3-bromo-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide?
3-bromo-4-chloro-N-(2-hydroxy-2-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 3-bromo-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide is sourced from PubChem (CID 103842939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).