N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide

C14H12BrNO3 — CID 29261071

IUPACN-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Br)cc2)ccc1O
InChIInChI=1S/C14H12BrNO3/c1-19-13-8-9(2-7-12(13)17)14(18)16-11-5-3-10(15)4-6-11/h2-8,17H,1H3,(H,16,18)
InChIKeyIBQGKTRVANLNAP-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.42
Rot. Bonds3

About N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide

N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide (PubChem CID 29261071) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide
PubChem CID29261071
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC NameN-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Br)cc2)ccc1O
InChIInChI=1S/C14H12BrNO3/c1-19-13-8-9(2-7-12(13)17)14(18)16-11-5-3-10(15)4-6-11/h2-8,17H,1H3,(H,16,18)
InChIKeyIBQGKTRVANLNAP-UHFFFAOYSA-N
XLogP3.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-bromo-N-(4-chloro-3-methoxyphenyl)benzamide
CID 107271772
N-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 46486629
4-bromo-N-(3-bromo-4-hydroxyphenyl)benzamide
CID 3482679
N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide
CID 64781635
(4-hydroxy-3-methoxybenzoyl)carbamic acid
CID 140993168
N-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 114310808
N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-hydroxy-3-methoxybenzamide
CID 50956569
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide
CID 82858870
3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide?
The IUPAC name of N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide (CID 29261071) is N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide is COc1cc(C(=O)Nc2ccc(Br)cc2)ccc1O.
What is the InChIKey of N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide?
The InChIKey is IBQGKTRVANLNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c1-19-13-8-9(2-7-12(13)17)14(18)16-11-5-3-10(15)4-6-11/h2-8,17H,1H3,(H,16,18).
What are the key properties of N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide?
N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide has a molecular weight of 322.16 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 29261071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).