N-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide

C14H11BrN2O3 — CID 45054611

IUPACN-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide
SMILESO=C(N/N=C/c1ccccc1Br)c1ccc(O)cc1O
InChIInChI=1S/C14H11BrN2O3/c15-12-4-2-1-3-9(12)8-16-17-14(20)11-6-5-10(18)7-13(11)19/h1-8,18-19H,(H,17,20)/b16-8+
InChIKeyLBJWHIHAVPQINB-LZYBPNLTSA-N
MW335.16 g/mol
LogP2.62
Rot. Bonds3

About N-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide

N-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide (PubChem CID 45054611) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is N-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide
PubChem CID45054611
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC NameN-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide
SMILESO=C(N/N=C/c1ccccc1Br)c1ccc(O)cc1O
InChIInChI=1S/C14H11BrN2O3/c15-12-4-2-1-3-9(12)8-16-17-14(20)11-6-5-10(18)7-13(11)19/h1-8,18-19H,(H,17,20)/b16-8+
InChIKeyLBJWHIHAVPQINB-LZYBPNLTSA-N
XLogP2.62
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135883082
N-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 5333882
4-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135511246
2,4-dihydroxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 6287752
2,4-dihydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 5332442
N-[(Z)-(2-bromophenyl)methylideneamino]-3,5-dichloro-2-hydroxybenzamide
CID 7326637
2-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 137156038
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 44507388
2,4-dihydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135688483
4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135511247
4-chloro-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5405746

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide?
The IUPAC name of N-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide (CID 45054611) is N-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide?
The canonical SMILES for N-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide is O=C(N/N=C/c1ccccc1Br)c1ccc(O)cc1O.
What is the InChIKey of N-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide?
The InChIKey is LBJWHIHAVPQINB-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c15-12-4-2-1-3-9(12)8-16-17-14(20)11-6-5-10(18)7-13(11)19/h1-8,18-19H,(H,17,20)/b16-8+.
What are the key properties of N-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide?
N-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide has a molecular weight of 335.16 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide is sourced from PubChem (CID 45054611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).