N-(3-bromophenyl)-2-hydroxy-5-(prop-2-enoylamino)benzamide

C16H13BrN2O3 — CID 11717472

IUPACN-(3-bromophenyl)-2-hydroxy-5-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccc(O)c(C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C16H13BrN2O3/c1-2-15(21)18-12-6-7-14(20)13(9-12)16(22)19-11-5-3-4-10(17)8-11/h2-9,20H,1H2,(H,18,21)(H,19,22)
InChIKeyBVFCILADOWKWJB-UHFFFAOYSA-N
MW361.20 g/mol
LogP3.53
Rot. Bonds4

About N-(3-bromophenyl)-2-hydroxy-5-(prop-2-enoylamino)benzamide

N-(3-bromophenyl)-2-hydroxy-5-(prop-2-enoylamino)benzamide (PubChem CID 11717472) has the molecular formula C16H13BrN2O3 and a molecular weight of 361.20 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-hydroxy-5-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-hydroxy-5-(prop-2-enoylamino)benzamide
PubChem CID11717472
Molecular FormulaC16H13BrN2O3
Molecular Weight361.20 g/mol
Exact Mass360.01
IUPAC NameN-(3-bromophenyl)-2-hydroxy-5-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccc(O)c(C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C16H13BrN2O3/c1-2-15(21)18-12-6-7-14(20)13(9-12)16(22)19-11-5-3-4-10(17)8-11/h2-9,20H,1H2,(H,18,21)(H,19,22)
InChIKeyBVFCILADOWKWJB-UHFFFAOYSA-N
XLogP3.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,4',5-Tribromosalicylanilide
CID 14868
Bromochlorosalicylanilide
CID 77254
Salicylanilide
CID 6872
Osalmid
CID 4602
Fluorophene
CID 20906
N-Acetyl-5-Aminosalicylic Acid
CID 65512
5-Bromo-N-(4-bromophenyl)-2-hydroxybenzamide
CID 14839
2-Hydroxy-N-(3-(trifluoromethyl)phenyl)benzamide
CID 68519
2-Acetyl-4-butyramidophenol
CID 736331
Resorantel
CID 65696
Metabromsalan
CID 17404
2-hydroxy-N-(4-methylphenyl)benzamide
CID 478805

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-hydroxy-5-(prop-2-enoylamino)benzamide?
The IUPAC name of N-(3-bromophenyl)-2-hydroxy-5-(prop-2-enoylamino)benzamide (CID 11717472) is N-(3-bromophenyl)-2-hydroxy-5-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-(3-bromophenyl)-2-hydroxy-5-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-(3-bromophenyl)-2-hydroxy-5-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1ccc(O)c(C(=O)Nc2cccc(Br)c2)c1.
What is the InChIKey of N-(3-bromophenyl)-2-hydroxy-5-(prop-2-enoylamino)benzamide?
The InChIKey is BVFCILADOWKWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3/c1-2-15(21)18-12-6-7-14(20)13(9-12)16(22)19-11-5-3-4-10(17)8-11/h2-9,20H,1H2,(H,18,21)(H,19,22).
What are the key properties of N-(3-bromophenyl)-2-hydroxy-5-(prop-2-enoylamino)benzamide?
N-(3-bromophenyl)-2-hydroxy-5-(prop-2-enoylamino)benzamide has a molecular weight of 361.20 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-hydroxy-5-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 11717472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).