N-[hydroxycarbamoyl(methyl)carbamoyl]benzamide

C10H11N3O4 — CID 87958715

IUPACN-[hydroxycarbamoyl(methyl)carbamoyl]benzamide
SMILESCN(C(=O)NO)C(=O)NC(=O)c1ccccc1
InChIInChI=1S/C10H11N3O4/c1-13(10(16)12-17)9(15)11-8(14)7-5-3-2-4-6-7/h2-6,17H,1H3,(H,12,16)(H,11,14,15)
InChIKeyHIKOFXLGPUCABC-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.57
Rot. Bonds1

About N-[hydroxycarbamoyl(methyl)carbamoyl]benzamide

N-[hydroxycarbamoyl(methyl)carbamoyl]benzamide (PubChem CID 87958715) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is N-[hydroxycarbamoyl(methyl)carbamoyl]benzamide.

Molecular Properties

Compound NameN-[hydroxycarbamoyl(methyl)carbamoyl]benzamide
PubChem CID87958715
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC NameN-[hydroxycarbamoyl(methyl)carbamoyl]benzamide
SMILESCN(C(=O)NO)C(=O)NC(=O)c1ccccc1
InChIInChI=1S/C10H11N3O4/c1-13(10(16)12-17)9(15)11-8(14)7-5-3-2-4-6-7/h2-6,17H,1H3,(H,12,16)(H,11,14,15)
InChIKeyHIKOFXLGPUCABC-UHFFFAOYSA-N
XLogP0.57
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[methyl(pentyl)carbamoyl]benzamide
CID 3378648
N-methylbenzamide
CID 11954
N-hydroxybenzamide;nickel
CID 88846751
N-[methyl-(2-oxo-1-phenylethyl)carbamoyl]benzamide
CID 54305450
calcium;hydride;N-hydroxybenzamide
CID 175061214
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
N',N'-dimethylbenzohydrazide;hydrochloride
CID 131848151
N-benzoyl-3-bromobenzamide
CID 118577200
N-[(2E,4Z)-1-(dimethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 20831443
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide;molecular hydrogen
CID 142972595
N-[(Z)-1-(dimethylamino)-3-oxobut-1-en-2-yl]benzamide
CID 12030798

Frequently Asked Questions

What is the IUPAC name of N-[hydroxycarbamoyl(methyl)carbamoyl]benzamide?
The IUPAC name of N-[hydroxycarbamoyl(methyl)carbamoyl]benzamide (CID 87958715) is N-[hydroxycarbamoyl(methyl)carbamoyl]benzamide.
What is the SMILES notation for N-[hydroxycarbamoyl(methyl)carbamoyl]benzamide?
The canonical SMILES for N-[hydroxycarbamoyl(methyl)carbamoyl]benzamide is CN(C(=O)NO)C(=O)NC(=O)c1ccccc1.
What is the InChIKey of N-[hydroxycarbamoyl(methyl)carbamoyl]benzamide?
The InChIKey is HIKOFXLGPUCABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-13(10(16)12-17)9(15)11-8(14)7-5-3-2-4-6-7/h2-6,17H,1H3,(H,12,16)(H,11,14,15).
What are the key properties of N-[hydroxycarbamoyl(methyl)carbamoyl]benzamide?
N-[hydroxycarbamoyl(methyl)carbamoyl]benzamide has a molecular weight of 237.22 g/mol, XLogP of 0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hydroxycarbamoyl(methyl)carbamoyl]benzamide is sourced from PubChem (CID 87958715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).