1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(4-nitrophenyl)urea

C15H12ClN3O3 — CID 108906521

IUPAC1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(4-nitrophenyl)urea
SMILESO=C(N/C=C/c1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12ClN3O3/c16-12-3-1-2-11(10-12)8-9-17-15(20)18-13-4-6-14(7-5-13)19(21)22/h1-10H,(H2,17,18,20)/b9-8+
InChIKeyXWZUFMCDGATMOS-CMDGGOBGSA-N
MW317.73 g/mol
LogP4.04
Rot. Bonds4

About 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(4-nitrophenyl)urea

1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(4-nitrophenyl)urea (PubChem CID 108906521) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(4-nitrophenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(4-nitrophenyl)urea
PubChem CID108906521
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC Name1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(4-nitrophenyl)urea
SMILESO=C(N/C=C/c1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12ClN3O3/c16-12-3-1-2-11(10-12)8-9-17-15(20)18-13-4-6-14(7-5-13)19(21)22/h1-10H,(H2,17,18,20)/b9-8+
InChIKeyXWZUFMCDGATMOS-CMDGGOBGSA-N
XLogP4.04
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 54.04
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

1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(2-nitrophenyl)urea
CID 108906423
1-(3-chlorophenyl)-3-[4-(4-nitrophenyl)phenyl]urea
CID 16760870
1-[(3-chlorophenyl)methyl]-3-(4-nitrophenyl)urea
CID 78786561
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-nitrophenyl)urea
CID 108905776
(E)-3-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478
N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 692314
(E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 875691
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314822
2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid
CID 108906497
N-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 677889
4-[[(E)-2-(3-bromophenyl)ethenyl]carbamoylamino]benzenesulfonic acid
CID 108906803
1-(4-chloro-3-nitrophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908008

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(4-nitrophenyl)urea?
The IUPAC name of 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(4-nitrophenyl)urea (CID 108906521) is 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(4-nitrophenyl)urea.
What is the SMILES notation for 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(4-nitrophenyl)urea?
The canonical SMILES for 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(4-nitrophenyl)urea is O=C(N/C=C/c1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(4-nitrophenyl)urea?
The InChIKey is XWZUFMCDGATMOS-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c16-12-3-1-2-11(10-12)8-9-17-15(20)18-13-4-6-14(7-5-13)19(21)22/h1-10H,(H2,17,18,20)/b9-8+.
What are the key properties of 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(4-nitrophenyl)urea?
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(4-nitrophenyl)urea has a molecular weight of 317.73 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(4-nitrophenyl)urea is sourced from PubChem (CID 108906521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).