1-(2-benzylphenyl)-3-(3-nitrophenyl)urea

C20H17N3O3 — CID 17267452

IUPAC1-(2-benzylphenyl)-3-(3-nitrophenyl)urea
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C20H17N3O3/c24-20(21-17-10-6-11-18(14-17)23(25)26)22-19-12-5-4-9-16(19)13-15-7-2-1-3-8-15/h1-12,14H,13H2,(H2,21,22,24)
InChIKeyJZRPEUIPMOMLNQ-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.83
Rot. Bonds5

About 1-(2-benzylphenyl)-3-(3-nitrophenyl)urea

1-(2-benzylphenyl)-3-(3-nitrophenyl)urea (PubChem CID 17267452) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 1-(2-benzylphenyl)-3-(3-nitrophenyl)urea.

Molecular Properties

Compound Name1-(2-benzylphenyl)-3-(3-nitrophenyl)urea
PubChem CID17267452
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name1-(2-benzylphenyl)-3-(3-nitrophenyl)urea
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C20H17N3O3/c24-20(21-17-10-6-11-18(14-17)23(25)26)22-19-12-5-4-9-16(19)13-15-7-2-1-3-8-15/h1-12,14H,13H2,(H2,21,22,24)
InChIKeyJZRPEUIPMOMLNQ-UHFFFAOYSA-N
XLogP4.83
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.83
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

N-(2-benzylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4812357
1-[3-(3-nitrophenyl)phenyl]-3-phenylurea
CID 110446797
1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea
CID 28540569
ethyl 2-[(3-nitrophenyl)carbamoylamino]benzoate
CID 127563201
N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide
CID 26880181
2-benzyl-N-(3-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 39887290
1-(3-nitrophenyl)-3-(phenoxymethyl)urea
CID 108888832
2-(2-benzylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
CID 42070489
N-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide
CID 17180814
2-[[2-(3-nitroanilino)-2-oxoacetyl]amino]benzoic acid
CID 3901813
[3-[(3-nitrophenyl)methylamino]phenyl]carbamic acid
CID 66880539
N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide
CID 108513330

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylphenyl)-3-(3-nitrophenyl)urea?
The IUPAC name of 1-(2-benzylphenyl)-3-(3-nitrophenyl)urea (CID 17267452) is 1-(2-benzylphenyl)-3-(3-nitrophenyl)urea.
What is the SMILES notation for 1-(2-benzylphenyl)-3-(3-nitrophenyl)urea?
The canonical SMILES for 1-(2-benzylphenyl)-3-(3-nitrophenyl)urea is O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of 1-(2-benzylphenyl)-3-(3-nitrophenyl)urea?
The InChIKey is JZRPEUIPMOMLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-20(21-17-10-6-11-18(14-17)23(25)26)22-19-12-5-4-9-16(19)13-15-7-2-1-3-8-15/h1-12,14H,13H2,(H2,21,22,24).
What are the key properties of 1-(2-benzylphenyl)-3-(3-nitrophenyl)urea?
1-(2-benzylphenyl)-3-(3-nitrophenyl)urea has a molecular weight of 347.37 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylphenyl)-3-(3-nitrophenyl)urea is sourced from PubChem (CID 17267452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).