4-bromo-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxybenzamide

C16H16BrNO3 — CID 78924714

IUPAC4-bromo-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC(C)c1cccc(O)c1
InChIInChI=1S/C16H16BrNO3/c1-10(11-4-3-5-13(19)8-11)18-16(20)14-7-6-12(17)9-15(14)21-2/h3-10,19H,1-2H3,(H,18,20)
InChIKeyZSKITHRVZCAFHZ-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.65
Rot. Bonds4

About 4-bromo-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxybenzamide

4-bromo-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxybenzamide (PubChem CID 78924714) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 4-bromo-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxybenzamide
PubChem CID78924714
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name4-bromo-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC(C)c1cccc(O)c1
InChIInChI=1S/C16H16BrNO3/c1-10(11-4-3-5-13(19)8-11)18-16(20)14-7-6-12(17)9-15(14)21-2/h3-10,19H,1-2H3,(H,18,20)
InChIKeyZSKITHRVZCAFHZ-UHFFFAOYSA-N
XLogP3.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 78987865
2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 103882711
2-amino-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 61213095
4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 115369589
4-bromo-N-(1,1-dimethoxypropan-2-yl)-2-methoxybenzamide
CID 115369120
4-bromo-2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 78987774
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479
N-[1-(3-bromophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46599431
2-[(4-bromo-2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 115368583
[3-methoxy-4-[1-(3-methoxyphenyl)ethylcarbamoyl]phenyl]boronic acid
CID 123598238
4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide
CID 107025551

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxybenzamide (CID 78924714) is 4-bromo-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)NC(C)c1cccc(O)c1.
What is the InChIKey of 4-bromo-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxybenzamide?
The InChIKey is ZSKITHRVZCAFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-10(11-4-3-5-13(19)8-11)18-16(20)14-7-6-12(17)9-15(14)21-2/h3-10,19H,1-2H3,(H,18,20).
What are the key properties of 4-bromo-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxybenzamide?
4-bromo-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxybenzamide has a molecular weight of 350.21 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 78924714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).