N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide

C16H16BrNO2 — CID 107673091

IUPACN-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NC(CBr)c1ccccc1
InChIInChI=1S/C16H16BrNO2/c1-11-9-13(19)7-8-14(11)16(20)18-15(10-17)12-5-3-2-4-6-12/h2-9,15,19H,10H2,1H3,(H,18,20)
InChIKeyBMLMWXGMFNWBKH-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.57
Rot. Bonds4

About N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide

N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide (PubChem CID 107673091) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide
PubChem CID107673091
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC NameN-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NC(CBr)c1ccccc1
InChIInChI=1S/C16H16BrNO2/c1-11-9-13(19)7-8-14(11)16(20)18-15(10-17)12-5-3-2-4-6-12/h2-9,15,19H,10H2,1H3,(H,18,20)
InChIKeyBMLMWXGMFNWBKH-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 ≤ 500334.21
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-1-phenylethyl)-4-hydroxy-2-methylbenzamide
CID 107673314
N-(2-bromo-1-phenylethyl)-3-chloro-4-methylbenzamide
CID 114311152
N-(1-bromo-4-methylpentan-2-yl)-4-hydroxy-2-methylbenzamide
CID 107673096
N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide
CID 114311124
[(1R)-2-bromo-1-phenylethyl]carbamic acid
CID 146309654
N-(2-bromo-1-phenylethyl)-3,4-dihydroxybenzamide
CID 107729033
N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide
CID 107725945
2,5-dihydroxy-N-(1-phenylpropyl)benzamide
CID 107722884
N-(1-bromopentan-3-yl)-4-hydroxy-2-methylbenzamide
CID 107673198
5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide
CID 102705550
N-(2-bromo-1-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 114311175
2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 100710084

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide (CID 107673091) is N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide is Cc1cc(O)ccc1C(=O)NC(CBr)c1ccccc1.
What is the InChIKey of N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide?
The InChIKey is BMLMWXGMFNWBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11-9-13(19)7-8-14(11)16(20)18-15(10-17)12-5-3-2-4-6-12/h2-9,15,19H,10H2,1H3,(H,18,20).
What are the key properties of N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide?
N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide has a molecular weight of 334.21 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 N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 107673091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).