1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea

C15H15N3O2 — CID 24707277

IUPAC1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea
SMILESC/C(=N\O)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H15N3O2/c1-11(18-20)12-7-9-14(10-8-12)17-15(19)16-13-5-3-2-4-6-13/h2-10,20H,1H3,(H2,16,17,19)/b18-11+
InChIKeyMNFHPLAACXQPQT-WOJGMQOQSA-N
MW269.30 g/mol
LogP3.53
Rot. Bonds3

About 1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea

1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea (PubChem CID 24707277) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea
PubChem CID24707277
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea
SMILESC/C(=N\O)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H15N3O2/c1-11(18-20)12-7-9-14(10-8-12)17-15(19)16-13-5-3-2-4-6-13/h2-10,20H,1H3,(H2,16,17,19)/b18-11+
InChIKeyMNFHPLAACXQPQT-WOJGMQOQSA-N
XLogP3.53
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

1-phenyl-3-[(Z)-1-phenylethylideneamino]urea
CID 5407235
1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea
CID 5375904
4-[4-(N-hydroxy-C-methylcarbonimidoyl)anilino]-4-oxobut-2-enoic acid
CID 4195955
4-hydroxy-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24707724
1-[4-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-3-[4-[N-(diaminomethylideneamino)-C-phenylcarbonimidoyl]phenyl]urea
CID 74390808
1-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-3-[4-[(Z)-N-(diaminomethylideneamino)-C-phenylcarbonimidoyl]phenyl]urea
CID 123506865
1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea
CID 9241529
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24691047
methyl 2-[[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]carbamoylamino]-5-phenylpent-4-enoate
CID 88614654
nitrous acid;N-phenylacetamide
CID 174797407
N-methoxy-4-(phenylcarbamoylamino)benzamide
CID 33101054

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea (CID 24707277) is 1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea is C/C(=N\O)c1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea?
The InChIKey is MNFHPLAACXQPQT-WOJGMQOQSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11(18-20)12-7-9-14(10-8-12)17-15(19)16-13-5-3-2-4-6-13/h2-10,20H,1H3,(H2,16,17,19)/b18-11+.
What are the key properties of 1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea?
1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea has a molecular weight of 269.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea is sourced from PubChem (CID 24707277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).