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

C15H15N3O2 — CID 76932856

IUPACN-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1cccc(C(N)=NO)c1
InChIInChI=1S/C15H15N3O2/c1-18(15(19)11-6-3-2-4-7-11)13-9-5-8-12(10-13)14(16)17-20/h2-10,20H,1H3,(H2,16,17)
InChIKeySSGVEKVBAATHCU-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.06
Rot. Bonds3

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

N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide (PubChem CID 76932856) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
PubChem CID76932856
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1cccc(C(N)=NO)c1
InChIInChI=1S/C15H15N3O2/c1-18(15(19)11-6-3-2-4-7-11)13-9-5-8-12(10-13)14(16)17-20/h2-10,20H,1H3,(H2,16,17)
InChIKeySSGVEKVBAATHCU-UHFFFAOYSA-N
XLogP2.06
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76979219
3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932851
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
N-(3-carbamothioylphenyl)-N-methylbenzamide
CID 62969755
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N,5-dimethylfuran-2-carboxamide
CID 76932906
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 76932829
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 76982250
3-bromo-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylthiophene-2-carboxamide
CID 76932721
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
N-methyl-N-[3-(N-methylanilino)phenyl]benzamide
CID 129066255

Frequently Asked Questions

What is the IUPAC name of N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide?
The IUPAC name of N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide (CID 76932856) is N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide.
What is the SMILES notation for N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide?
The canonical SMILES for N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide is CN(C(=O)c1ccccc1)c1cccc(C(N)=NO)c1.
What is the InChIKey of N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide?
The InChIKey is SSGVEKVBAATHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-18(15(19)11-6-3-2-4-7-11)13-9-5-8-12(10-13)14(16)17-20/h2-10,20H,1H3,(H2,16,17).
What are the key properties of N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide?
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide has a molecular weight of 269.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide is sourced from PubChem (CID 76932856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).