N-[2-(bromomethyl)phenyl]-3,5-dihydroxybenzamide

C14H12BrNO3 — CID 107706038

IUPACN-[2-(bromomethyl)phenyl]-3,5-dihydroxybenzamide
SMILESO=C(Nc1ccccc1CBr)c1cc(O)cc(O)c1
InChIInChI=1S/C14H12BrNO3/c15-8-9-3-1-2-4-13(9)16-14(19)10-5-11(17)7-12(18)6-10/h1-7,17-18H,8H2,(H,16,19)
InChIKeyDMNUVNZJNQOLNX-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.24
Rot. Bonds3

About N-[2-(bromomethyl)phenyl]-3,5-dihydroxybenzamide

N-[2-(bromomethyl)phenyl]-3,5-dihydroxybenzamide (PubChem CID 107706038) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is N-[2-(bromomethyl)phenyl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)phenyl]-3,5-dihydroxybenzamide
PubChem CID107706038
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC NameN-[2-(bromomethyl)phenyl]-3,5-dihydroxybenzamide
SMILESO=C(Nc1ccccc1CBr)c1cc(O)cc(O)c1
InChIInChI=1S/C14H12BrNO3/c15-8-9-3-1-2-4-13(9)16-14(19)10-5-11(17)7-12(18)6-10/h1-7,17-18H,8H2,(H,16,19)
InChIKeyDMNUVNZJNQOLNX-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-[2-(aminomethyl)phenyl]-3,5-dihydroxybenzamide
CID 107705031
N-[2-(bromomethyl)phenyl]-4-nitrobenzamide
CID 114309682
N-[2-(bromomethyl)phenyl]-2,4,6-trifluorobenzamide
CID 114309616
N-[2-(bromomethyl)phenyl]-2-hydroxy-4-methoxybenzamide
CID 114309582
N-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide
CID 113274477
5-hydroxy-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 55258131
2-[2-[(5-hydroxypyridine-3-carbonyl)amino]phenyl]acetic acid
CID 63849973
[3-[[2-[(3,5-dihydroxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108928793
4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 102851092
4-bromo-N-[2-(bromomethyl)phenyl]-2-fluorobenzamide
CID 114309734
N-[2-(aminomethyl)phenyl]-5-hydroxypyridine-3-carboxamide
CID 64895437
N-[2-[(dimethylamino)methyl]phenyl]-3-hydroxybenzamide
CID 110472375

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)phenyl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[2-(bromomethyl)phenyl]-3,5-dihydroxybenzamide (CID 107706038) is N-[2-(bromomethyl)phenyl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[2-(bromomethyl)phenyl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[2-(bromomethyl)phenyl]-3,5-dihydroxybenzamide is O=C(Nc1ccccc1CBr)c1cc(O)cc(O)c1.
What is the InChIKey of N-[2-(bromomethyl)phenyl]-3,5-dihydroxybenzamide?
The InChIKey is DMNUVNZJNQOLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c15-8-9-3-1-2-4-13(9)16-14(19)10-5-11(17)7-12(18)6-10/h1-7,17-18H,8H2,(H,16,19).
What are the key properties of N-[2-(bromomethyl)phenyl]-3,5-dihydroxybenzamide?
N-[2-(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-[2-(bromomethyl)phenyl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 107706038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).