N-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide

C15H14BrNO3 — CID 114310808

IUPACN-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CBr)cc2)cc1O
InChIInChI=1S/C15H14BrNO3/c1-20-14-7-4-11(8-13(14)18)15(19)17-12-5-2-10(9-16)3-6-12/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyMWPZXXJMGNCQDI-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.55
Rot. Bonds4

About N-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide

N-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide (PubChem CID 114310808) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
PubChem CID114310808
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC NameN-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CBr)cc2)cc1O
InChIInChI=1S/C15H14BrNO3/c1-20-14-7-4-11(8-13(14)18)15(19)17-12-5-2-10(9-16)3-6-12/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyMWPZXXJMGNCQDI-UHFFFAOYSA-N
XLogP3.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.55
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

N-[4-(chloromethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 114299769
N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600826
N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726945
N-(3-amino-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79726156
N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 79725587
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
3-hydroxy-4-methoxy-N-thiophen-3-ylbenzamide
CID 79601178
N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide
CID 82858870
2-[4-[(3-bromo-4-methoxybenzoyl)amino]phenyl]acetic acid
CID 17341898
N-[4-(bromomethyl)phenyl]-4-methylbenzamide
CID 113274673
N-[4-(bromomethyl)phenyl]-3,5-dihydroxybenzamide
CID 107706046
N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide
CID 29261071

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide (CID 114310808) is N-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(CBr)cc2)cc1O.
What is the InChIKey of N-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide?
The InChIKey is MWPZXXJMGNCQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-20-14-7-4-11(8-13(14)18)15(19)17-12-5-2-10(9-16)3-6-12/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of N-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide?
N-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide has a molecular weight of 336.19 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 114310808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).