3-fluoro-4-nitrobenzamide;urea

C8H9FN4O4 — CID 162262537

IUPAC3-fluoro-4-nitrobenzamide;urea
SMILESNC(=O)c1ccc([N+](=O)[O-])c(F)c1.NC(N)=O
InChIInChI=1S/C7H5FN2O3.CH4N2O/c8-5-3-4(7(9)11)1-2-6(5)10(12)13;2-1(3)4/h1-3H,(H2,9,11);(H4,2,3,4)
InChIKeyZZLGWASSOUCWRN-UHFFFAOYSA-N
MW244.18 g/mol
LogP-0.14
Rot. Bonds2

About 3-fluoro-4-nitrobenzamide;urea

3-fluoro-4-nitrobenzamide;urea (PubChem CID 162262537) has the molecular formula C8H9FN4O4 and a molecular weight of 244.18 g/mol. Its IUPAC name is 3-fluoro-4-nitrobenzamide;urea.

Molecular Properties

Compound Name3-fluoro-4-nitrobenzamide;urea
PubChem CID162262537
Molecular FormulaC8H9FN4O4
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC Name3-fluoro-4-nitrobenzamide;urea
SMILESNC(=O)c1ccc([N+](=O)[O-])c(F)c1.NC(N)=O
InChIInChI=1S/C7H5FN2O3.CH4N2O/c8-5-3-4(7(9)11)1-2-6(5)10(12)13;2-1(3)4/h1-3H,(H2,9,11);(H4,2,3,4)
InChIKeyZZLGWASSOUCWRN-UHFFFAOYSA-N
XLogP-0.14
TPSA155.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-fluoro-4-nitrobenzamide
CID 11423967
3-ethyl-4-nitrobenzamide
CID 67525718
3-fluoro-N-[(2-methylpropan-2-yl)oxy]-4-nitrobenzamide
CID 82724797
3-(6-chloro-5-fluoro-3-pyridinyl)-4-nitrobenzamide
CID 152692140
ethane;4-methyl-3-nitrobenzamide
CID 143806264
(3-fluoro-4-nitrophenyl)-piperidin-1-ylmethanone
CID 62681083
3-[(2-fluorophenyl)methylamino]-4-nitrobenzamide
CID 82991671
(2-fluorophenyl)methyl 3-fluoro-4-nitrobenzoate
CID 63118911
pentyl 3-fluoro-4-nitrobenzoate
CID 63841506
4-ethyl-3-nitrobenzamide
CID 57169483
2-(4-carbamoyl-2-nitrophenyl)acetic acid
CID 4067270
(4-carbamoyl-2-nitrophenyl)boronic acid
CID 131396967

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-nitrobenzamide;urea?
The IUPAC name of 3-fluoro-4-nitrobenzamide;urea (CID 162262537) is 3-fluoro-4-nitrobenzamide;urea.
What is the SMILES notation for 3-fluoro-4-nitrobenzamide;urea?
The canonical SMILES for 3-fluoro-4-nitrobenzamide;urea is NC(=O)c1ccc([N+](=O)[O-])c(F)c1.NC(N)=O.
What is the InChIKey of 3-fluoro-4-nitrobenzamide;urea?
The InChIKey is ZZLGWASSOUCWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O3.CH4N2O/c8-5-3-4(7(9)11)1-2-6(5)10(12)13;2-1(3)4/h1-3H,(H2,9,11);(H4,2,3,4).
What are the key properties of 3-fluoro-4-nitrobenzamide;urea?
3-fluoro-4-nitrobenzamide;urea has a molecular weight of 244.18 g/mol, XLogP of -0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-nitrobenzamide;urea is sourced from PubChem (CID 162262537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).