3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide

C15H15N3O3 — CID 76979219

IUPAC3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1cccc(O)c1)c1cccc(C(N)=NO)c1
InChIInChI=1S/C15H15N3O3/c1-18(15(20)11-5-3-7-13(19)9-11)12-6-2-4-10(8-12)14(16)17-21/h2-9,19,21H,1H3,(H2,16,17)
InChIKeyQVUJINDPXCYWPT-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.76
Rot. Bonds3

About 3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide

3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide (PubChem CID 76979219) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
PubChem CID76979219
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1cccc(O)c1)c1cccc(C(N)=NO)c1
InChIInChI=1S/C15H15N3O3/c1-18(15(20)11-5-3-7-13(19)9-11)12-6-2-4-10(8-12)14(16)17-21/h2-9,19,21H,1H3,(H2,16,17)
InChIKeyQVUJINDPXCYWPT-UHFFFAOYSA-N
XLogP1.76
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932856
3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932851
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 76982250
3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739062
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N,5-dimethylfuran-2-carboxamide
CID 76932906
3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735650
3-bromo-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylthiophene-2-carboxamide
CID 76932721
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 76932829
N-(3-carbamothioylphenyl)-3,5-dihydroxy-N-methylbenzamide
CID 107703258
1-[3-(N'-hydroxycarbamimidoyl)phenyl]-1-methyl-3-propan-2-ylurea
CID 76979261
5-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylpyridine-2-carboxamide
CID 104639481
3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpyridine-4-carboxamide
CID 77054805

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide?
The IUPAC name of 3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide (CID 76979219) is 3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide is CN(C(=O)c1cccc(O)c1)c1cccc(C(N)=NO)c1.
What is the InChIKey of 3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide?
The InChIKey is QVUJINDPXCYWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-18(15(20)11-5-3-7-13(19)9-11)12-6-2-4-10(8-12)14(16)17-21/h2-9,19,21H,1H3,(H2,16,17).
What are the key properties of 3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide?
3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide has a molecular weight of 285.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide is sourced from PubChem (CID 76979219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).