1-[[3-[hydroxy(oxido)amino]benzoyl]amino]-3-phenylurea

C14H13N4O4- — CID 163182175

IUPAC1-[[3-[hydroxy(oxido)amino]benzoyl]amino]-3-phenylurea
SMILESO=C(NNC(=O)c1cccc(N([O-])O)c1)Nc1ccccc1
InChIInChI=1S/C14H13N4O4/c19-13(10-5-4-8-12(9-10)18(21)22)16-17-14(20)15-11-6-2-1-3-7-11/h1-9,21H,(H,16,19)(H2,15,17,20)/q-1
InChIKeyDOBQNVAVLTTYDI-UHFFFAOYSA-N
MW301.28 g/mol
LogP1.85
Rot. Bonds3

About 1-[[3-[hydroxy(oxido)amino]benzoyl]amino]-3-phenylurea

1-[[3-[hydroxy(oxido)amino]benzoyl]amino]-3-phenylurea (PubChem CID 163182175) has the molecular formula C14H13N4O4- and a molecular weight of 301.28 g/mol. Its IUPAC name is 1-[[3-[hydroxy(oxido)amino]benzoyl]amino]-3-phenylurea.

Molecular Properties

Compound Name1-[[3-[hydroxy(oxido)amino]benzoyl]amino]-3-phenylurea
PubChem CID163182175
Molecular FormulaC14H13N4O4-
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC Name1-[[3-[hydroxy(oxido)amino]benzoyl]amino]-3-phenylurea
SMILESO=C(NNC(=O)c1cccc(N([O-])O)c1)Nc1ccccc1
InChIInChI=1S/C14H13N4O4/c19-13(10-5-4-8-12(9-10)18(21)22)16-17-14(20)15-11-6-2-1-3-7-11/h1-9,21H,(H,16,19)(H2,15,17,20)/q-1
InChIKeyDOBQNVAVLTTYDI-UHFFFAOYSA-N
XLogP1.85
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-fluorobenzoyl)amino]-3-phenylurea
CID 3412170
3-[hydroxy(oxido)amino]benzohydrazide
CID 163158257
1-benzamido-3-(3-methylphenyl)urea
CID 19798346
1-phenyl-3-[(4-phenylbenzoyl)amino]urea
CID 819364
3-[bis(2-hydroxyethyl)amino]-N-phenylbenzamide
CID 54334365
1-[(2,6-dichlorobenzoyl)amino]-3-phenylurea
CID 134118825
1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea
CID 5186503
3-[amino-[3-[[3-[amino(phenyl)carbamoyl]benzoyl]amino]phenyl]carbamoyl]-N-phenylbenzamide
CID 123571630
3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 109056757
1-[(2-chlorobenzoyl)amino]-3-phenylurea
CID 904342
1-[3-(dihydroxyamino)-5-(dioxidoamino)phenyl]-3-phenylurea
CID 163160952
1-(2-benzoylhydrazinyl)-3-(3-fluorophenyl)urea
CID 141393999

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[hydroxy(oxido)amino]benzoyl]amino]-3-phenylurea?
The IUPAC name of 1-[[3-[hydroxy(oxido)amino]benzoyl]amino]-3-phenylurea (CID 163182175) is 1-[[3-[hydroxy(oxido)amino]benzoyl]amino]-3-phenylurea.
What is the SMILES notation for 1-[[3-[hydroxy(oxido)amino]benzoyl]amino]-3-phenylurea?
The canonical SMILES for 1-[[3-[hydroxy(oxido)amino]benzoyl]amino]-3-phenylurea is O=C(NNC(=O)c1cccc(N([O-])O)c1)Nc1ccccc1.
What is the InChIKey of 1-[[3-[hydroxy(oxido)amino]benzoyl]amino]-3-phenylurea?
The InChIKey is DOBQNVAVLTTYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N4O4/c19-13(10-5-4-8-12(9-10)18(21)22)16-17-14(20)15-11-6-2-1-3-7-11/h1-9,21H,(H,16,19)(H2,15,17,20)/q-1.
What are the key properties of 1-[[3-[hydroxy(oxido)amino]benzoyl]amino]-3-phenylurea?
1-[[3-[hydroxy(oxido)amino]benzoyl]amino]-3-phenylurea has a molecular weight of 301.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[hydroxy(oxido)amino]benzoyl]amino]-3-phenylurea is sourced from PubChem (CID 163182175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).