3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide

C16H16BrNO3 — CID 63182178

IUPAC3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(CO)c2ccccc2)cc1Br
InChIInChI=1S/C16H16BrNO3/c1-21-15-8-7-12(9-13(15)17)16(20)18-14(10-19)11-5-3-2-4-6-11/h2-9,14,19H,10H2,1H3,(H,18,20)
InChIKeyKMAMUIOHYLORLQ-UHFFFAOYSA-N
MW350.21 g/mol
LogP2.92
Rot. Bonds5

About 3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide

3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide (PubChem CID 63182178) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide
PubChem CID63182178
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(CO)c2ccccc2)cc1Br
InChIInChI=1S/C16H16BrNO3/c1-21-15-8-7-12(9-13(15)17)16(20)18-14(10-19)11-5-3-2-4-6-11/h2-9,14,19H,10H2,1H3,(H,18,20)
InChIKeyKMAMUIOHYLORLQ-UHFFFAOYSA-N
XLogP2.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945331
3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 4020032
(3R)-3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7291192
3-bromo-N-(2-bromo-2-phenylethyl)-4-methoxybenzamide
CID 114308336
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-3-hydroxypropanoate
CID 43407222
N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-pyrazol-1-ylbenzamide
CID 91639884
(2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788667
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
(2R)-2-[(3-bromo-4-methoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 114005012
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide (CID 63182178) is 3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide is COc1ccc(C(=O)NC(CO)c2ccccc2)cc1Br.
What is the InChIKey of 3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide?
The InChIKey is KMAMUIOHYLORLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-21-15-8-7-12(9-13(15)17)16(20)18-14(10-19)11-5-3-2-4-6-11/h2-9,14,19H,10H2,1H3,(H,18,20).
What are the key properties of 3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide?
3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide has a molecular weight of 350.21 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-hydroxy-1-phenylethyl)-4-methoxybenzamide is sourced from PubChem (CID 63182178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).