N-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide

C16H16BrNO3 — CID 114315449

IUPACN-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(C)Br)c(O)c1
InChIInChI=1S/C16H16BrNO3/c1-10(17)12-5-3-4-6-14(12)18-16(20)13-8-7-11(21-2)9-15(13)19/h3-10,19H,1-2H3,(H,18,20)
InChIKeyLZWQNOXCAVFQHI-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.11
Rot. Bonds4

About N-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide

N-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide (PubChem CID 114315449) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is N-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide
PubChem CID114315449
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC NameN-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(C)Br)c(O)c1
InChIInChI=1S/C16H16BrNO3/c1-10(17)12-5-3-4-6-14(12)18-16(20)13-8-7-11(21-2)9-15(13)19/h3-10,19H,1-2H3,(H,18,20)
InChIKeyLZWQNOXCAVFQHI-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315530
N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315539
N-[2-(1-bromoethyl)phenyl]-4-chloro-2-hydroxybenzamide
CID 114315522
N-[2-(bromomethyl)phenyl]-2-hydroxy-4-methoxybenzamide
CID 114309582
2-amino-4-methoxy-N-(2-propan-2-ylphenyl)benzamide
CID 80503097
2-fluoro-4-methoxy-N-(2-propan-2-ylphenyl)benzamide
CID 103602982
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
N-[1-(2-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 43297787
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide
CID 113275866
2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide
CID 103891803
N-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide
CID 114315417

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide (CID 114315449) is N-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccccc2C(C)Br)c(O)c1.
What is the InChIKey of N-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide?
The InChIKey is LZWQNOXCAVFQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-10(17)12-5-3-4-6-14(12)18-16(20)13-8-7-11(21-2)9-15(13)19/h3-10,19H,1-2H3,(H,18,20).
What are the key properties of N-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide?
N-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide has a molecular weight of 350.21 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 114315449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).