N-[4-(bromomethyl)phenyl]-3,5-dihydroxybenzamide

C14H12BrNO3 — CID 107706046

IUPACN-[4-(bromomethyl)phenyl]-3,5-dihydroxybenzamide
SMILESO=C(Nc1ccc(CBr)cc1)c1cc(O)cc(O)c1
InChIInChI=1S/C14H12BrNO3/c15-8-9-1-3-11(4-2-9)16-14(19)10-5-12(17)7-13(18)6-10/h1-7,17-18H,8H2,(H,16,19)
InChIKeyJHVNIRIWPFAHJU-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.24
Rot. Bonds3

About N-[4-(bromomethyl)phenyl]-3,5-dihydroxybenzamide

N-[4-(bromomethyl)phenyl]-3,5-dihydroxybenzamide (PubChem CID 107706046) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is N-[4-(bromomethyl)phenyl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)phenyl]-3,5-dihydroxybenzamide
PubChem CID107706046
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC NameN-[4-(bromomethyl)phenyl]-3,5-dihydroxybenzamide
SMILESO=C(Nc1ccc(CBr)cc1)c1cc(O)cc(O)c1
InChIInChI=1S/C14H12BrNO3/c15-8-9-1-3-11(4-2-9)16-14(19)10-5-12(17)7-13(18)6-10/h1-7,17-18H,8H2,(H,16,19)
InChIKeyJHVNIRIWPFAHJU-UHFFFAOYSA-N
XLogP3.24
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-3,5-dihydroxybenzamide
CID 103891338
N-[4-(bromomethyl)phenyl]-4-methylbenzamide
CID 113274673
N-[4-(bromomethyl)phenyl]-2,4-dihydroxybenzamide
CID 107726026
N-(4-tert-butylphenyl)-3,5-dihydroxybenzamide
CID 103891366
5-bromo-N-[4-(bromomethyl)phenyl]pyridine-3-carboxamide
CID 113274680
N-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 114310808
N-[4-(bromomethyl)phenyl]-4-(dimethylamino)benzamide
CID 114310879
N-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide
CID 107703359
N-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 113274656
N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide
CID 106690051
1-N,3-N-bis[4-(4-aminophenyl)phenyl]-5-hydroxybenzene-1,3-dicarboxamide
CID 139769454
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)phenyl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[4-(bromomethyl)phenyl]-3,5-dihydroxybenzamide (CID 107706046) is N-[4-(bromomethyl)phenyl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[4-(bromomethyl)phenyl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[4-(bromomethyl)phenyl]-3,5-dihydroxybenzamide is O=C(Nc1ccc(CBr)cc1)c1cc(O)cc(O)c1.
What is the InChIKey of N-[4-(bromomethyl)phenyl]-3,5-dihydroxybenzamide?
The InChIKey is JHVNIRIWPFAHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c15-8-9-1-3-11(4-2-9)16-14(19)10-5-12(17)7-13(18)6-10/h1-7,17-18H,8H2,(H,16,19).
What are the key properties of N-[4-(bromomethyl)phenyl]-3,5-dihydroxybenzamide?
N-[4-(bromomethyl)phenyl]-3,5-dihydroxybenzamide has a molecular weight of 322.16 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)phenyl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 107706046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).