[4-[2-(4-nitrophenoxy)acetyl]phenyl]urea

C15H13N3O5 — CID 32580686

IUPAC[4-[2-(4-nitrophenoxy)acetyl]phenyl]urea
SMILESNC(=O)Nc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H13N3O5/c16-15(20)17-11-3-1-10(2-4-11)14(19)9-23-13-7-5-12(6-8-13)18(21)22/h1-8H,9H2,(H3,16,17,20)
InChIKeyOJDXLGGWNVORHF-UHFFFAOYSA-N
MW315.29 g/mol
LogP2.35
Rot. Bonds6

About [4-[2-(4-nitrophenoxy)acetyl]phenyl]urea

[4-[2-(4-nitrophenoxy)acetyl]phenyl]urea (PubChem CID 32580686) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is [4-[2-(4-nitrophenoxy)acetyl]phenyl]urea.

Molecular Properties

Compound Name[4-[2-(4-nitrophenoxy)acetyl]phenyl]urea
PubChem CID32580686
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name[4-[2-(4-nitrophenoxy)acetyl]phenyl]urea
SMILESNC(=O)Nc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H13N3O5/c16-15(20)17-11-3-1-10(2-4-11)14(19)9-23-13-7-5-12(6-8-13)18(21)22/h1-8H,9H2,(H3,16,17,20)
InChIKeyOJDXLGGWNVORHF-UHFFFAOYSA-N
XLogP2.35
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]-4-nitrobenzamide
CID 19644971
N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 9395370
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
CID 10646566
N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide
CID 11981942
2-(4-nitrophenoxy)-1-(4-propylphenyl)ethanone
CID 52888465
propyl 4-[[2-(4-nitrophenoxy)acetyl]amino]benzoate
CID 4501659
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide
CID 32943243
2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone
CID 43612540
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
2-(3,5-dichlorophenoxy)-1-(4-nitrophenyl)ethanone
CID 60623975

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-nitrophenoxy)acetyl]phenyl]urea?
The IUPAC name of [4-[2-(4-nitrophenoxy)acetyl]phenyl]urea (CID 32580686) is [4-[2-(4-nitrophenoxy)acetyl]phenyl]urea.
What is the SMILES notation for [4-[2-(4-nitrophenoxy)acetyl]phenyl]urea?
The canonical SMILES for [4-[2-(4-nitrophenoxy)acetyl]phenyl]urea is NC(=O)Nc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of [4-[2-(4-nitrophenoxy)acetyl]phenyl]urea?
The InChIKey is OJDXLGGWNVORHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5/c16-15(20)17-11-3-1-10(2-4-11)14(19)9-23-13-7-5-12(6-8-13)18(21)22/h1-8H,9H2,(H3,16,17,20).
What are the key properties of [4-[2-(4-nitrophenoxy)acetyl]phenyl]urea?
[4-[2-(4-nitrophenoxy)acetyl]phenyl]urea has a molecular weight of 315.29 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-nitrophenoxy)acetyl]phenyl]urea is sourced from PubChem (CID 32580686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).