1-(4-chlorophenyl)-1-(4-nitrophenyl)urea

C13H10ClN3O3 — CID 141454389

IUPAC1-(4-chlorophenyl)-1-(4-nitrophenyl)urea
SMILESNC(=O)N(c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H10ClN3O3/c14-9-1-3-10(4-2-9)16(13(15)18)11-5-7-12(8-6-11)17(19)20/h1-8H,(H2,15,18)
InChIKeyFPPMNIXWAONJAI-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.46
Rot. Bonds3

About 1-(4-chlorophenyl)-1-(4-nitrophenyl)urea

1-(4-chlorophenyl)-1-(4-nitrophenyl)urea (PubChem CID 141454389) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(4-nitrophenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(4-nitrophenyl)urea
PubChem CID141454389
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name1-(4-chlorophenyl)-1-(4-nitrophenyl)urea
SMILESNC(=O)N(c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H10ClN3O3/c14-9-1-3-10(4-2-9)16(13(15)18)11-5-7-12(8-6-11)17(19)20/h1-8H,(H2,15,18)
InChIKeyFPPMNIXWAONJAI-UHFFFAOYSA-N
XLogP3.46
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.46
H-Bond Donors ≤ 51
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

carbonochloridic acid;1-chloro-4-nitrobenzene
CID 88640216
CID 70381437
CID 70381437
bis(4-nitrophenyl)carbamic acid
CID 20515803
1-chloro-4-nitrobenzene;ethane
CID 90737802
1-(2-aminoethyl)-1-(4-nitrophenyl)urea
CID 53435798
2-chloro-N-(4-nitrophenyl)-N-phenylacetamide
CID 10979160
N-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]furan-2-carboxamide
CID 1117372
N,N-bis[4-(4-aminophenyl)phenyl]-4-nitrobenzamide
CID 141325798
Se-(4-nitrophenyl) carbamoselenoate
CID 122395813
(4-chlorophenyl)-methyl-(4-nitrophenyl)sulfanium perchlorate
CID 88792412
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(4-nitrophenyl)acetate
CID 2876830
5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide
CID 141401921

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(4-nitrophenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-1-(4-nitrophenyl)urea (CID 141454389) is 1-(4-chlorophenyl)-1-(4-nitrophenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(4-nitrophenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-1-(4-nitrophenyl)urea is NC(=O)N(c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(4-nitrophenyl)urea?
The InChIKey is FPPMNIXWAONJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c14-9-1-3-10(4-2-9)16(13(15)18)11-5-7-12(8-6-11)17(19)20/h1-8H,(H2,15,18).
What are the key properties of 1-(4-chlorophenyl)-1-(4-nitrophenyl)urea?
1-(4-chlorophenyl)-1-(4-nitrophenyl)urea has a molecular weight of 291.69 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(4-nitrophenyl)urea is sourced from PubChem (CID 141454389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).