N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-(2-hydroxyphenyl)acetamide

C15H15N3O3 — CID 80723368

IUPACN-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-(2-hydroxyphenyl)acetamide
SMILESN/C(=N/O)c1ccccc1NC(=O)Cc1ccccc1O
InChIInChI=1S/C15H15N3O3/c16-15(18-21)11-6-2-3-7-12(11)17-14(20)9-10-5-1-4-8-13(10)19/h1-8,19,21H,9H2,(H2,16,18)(H,17,20)
InChIKeyCCTFVJBCCLHXNR-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.67
Rot. Bonds4

About N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-(2-hydroxyphenyl)acetamide

N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-(2-hydroxyphenyl)acetamide (PubChem CID 80723368) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-(2-hydroxyphenyl)acetamide
PubChem CID80723368
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-(2-hydroxyphenyl)acetamide
SMILESN/C(=N/O)c1ccccc1NC(=O)Cc1ccccc1O
InChIInChI=1S/C15H15N3O3/c16-15(18-21)11-6-2-3-7-12(11)17-14(20)9-10-5-1-4-8-13(10)19/h1-8,19,21H,9H2,(H2,16,18)(H,17,20)
InChIKeyCCTFVJBCCLHXNR-UHFFFAOYSA-N
XLogP1.67
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.67
H-Bond Donors ≤ 54
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-[2-(N'-hydroxycarbamimidoyl)phenyl]-2-methylsulfanylacetamide
CID 77021723
N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
CID 139085269
1-benzyl-3-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]urea
CID 107654444
N-[2-(N'-hydroxycarbamimidoyl)phenyl]-2,3-dimethylbutanamide
CID 77015744
3,4-dihydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
CID 107728885
2-(2-chlorophenyl)-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide
CID 43106968
2-(2-hydroxyphenyl)-N-(2-methoxyphenyl)acetamide
CID 60615730
N-(2-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740419
N',2-dihydroxybenzenecarboximidamide
CID 4227476
N-(2,5-dimethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78991426
N-(2-fluoro-4-hydroxyphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740962
2-(2-hydroxyphenyl)-N-(2,4,5-trifluorophenyl)acetamide
CID 80741188

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-(2-hydroxyphenyl)acetamide (CID 80723368) is N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-(2-hydroxyphenyl)acetamide is N/C(=N/O)c1ccccc1NC(=O)Cc1ccccc1O.
What is the InChIKey of N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-(2-hydroxyphenyl)acetamide?
The InChIKey is CCTFVJBCCLHXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-15(18-21)11-6-2-3-7-12(11)17-14(20)9-10-5-1-4-8-13(10)19/h1-8,19,21H,9H2,(H2,16,18)(H,17,20).
What are the key properties of N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-(2-hydroxyphenyl)acetamide?
N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-(2-hydroxyphenyl)acetamide has a molecular weight of 285.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 80723368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).