1-[3-(3-nitrophenyl)phenyl]-3-phenylurea

C19H15N3O3 — CID 110446797

IUPAC1-[3-(3-nitrophenyl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(-c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H15N3O3/c23-19(20-16-8-2-1-3-9-16)21-17-10-4-6-14(12-17)15-7-5-11-18(13-15)22(24)25/h1-13H,(H2,20,21,23)
InChIKeyHRSWRYADQNMJNI-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.91
Rot. Bonds4

About 1-[3-(3-nitrophenyl)phenyl]-3-phenylurea

1-[3-(3-nitrophenyl)phenyl]-3-phenylurea (PubChem CID 110446797) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 1-[3-(3-nitrophenyl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(3-nitrophenyl)phenyl]-3-phenylurea
PubChem CID110446797
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name1-[3-(3-nitrophenyl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(-c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H15N3O3/c23-19(20-16-8-2-1-3-9-16)21-17-10-4-6-14(12-17)15-7-5-11-18(13-15)22(24)25/h1-13H,(H2,20,21,23)
InChIKeyHRSWRYADQNMJNI-UHFFFAOYSA-N
XLogP4.91
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[3-(3-nitrophenyl)phenyl]carbamate
CID 110459530
1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea
CID 28540569
N-[4-(3-nitrophenyl)phenyl]benzamide
CID 173440643
N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide
CID 110444896
N-[4-[(3-nitrophenyl)carbamoylamino]anilino]carbamoyl iodide
CID 88714573
N-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide
CID 17180814
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
1-(2-benzylphenyl)-3-(3-nitrophenyl)urea
CID 17267452
(E)-3-(3-nitrophenyl)-N-[4-(phenylcarbamoylamino)phenyl]prop-2-enamide
CID 18284824
N-[3-(4-nitrophenyl)phenyl]benzamide
CID 170346171
1-methoxy-3-(3-nitrophenyl)urea
CID 41474055
1-(3-nitrophenyl)-3-(trifluoromethyl)urea
CID 108865882

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-nitrophenyl)phenyl]-3-phenylurea?
The IUPAC name of 1-[3-(3-nitrophenyl)phenyl]-3-phenylurea (CID 110446797) is 1-[3-(3-nitrophenyl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[3-(3-nitrophenyl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[3-(3-nitrophenyl)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1cccc(-c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 1-[3-(3-nitrophenyl)phenyl]-3-phenylurea?
The InChIKey is HRSWRYADQNMJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-19(20-16-8-2-1-3-9-16)21-17-10-4-6-14(12-17)15-7-5-11-18(13-15)22(24)25/h1-13H,(H2,20,21,23).
What are the key properties of 1-[3-(3-nitrophenyl)phenyl]-3-phenylurea?
1-[3-(3-nitrophenyl)phenyl]-3-phenylurea has a molecular weight of 333.35 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-nitrophenyl)phenyl]-3-phenylurea is sourced from PubChem (CID 110446797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).