1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea

C12H14FN3O3 — CID 107812710

IUPAC1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)NC1CCCC1
InChIInChI=1S/C12H14FN3O3/c13-10-6-5-9(7-11(10)16(18)19)15-12(17)14-8-3-1-2-4-8/h5-8H,1-4H2,(H2,14,15,17)
InChIKeyFFONVJSZRVROSM-UHFFFAOYSA-N
MW267.26 g/mol
LogP2.80
Rot. Bonds3

About 1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea

1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea (PubChem CID 107812710) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea
PubChem CID107812710
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)NC1CCCC1
InChIInChI=1S/C12H14FN3O3/c13-10-6-5-9(7-11(10)16(18)19)15-12(17)14-8-3-1-2-4-8/h5-8H,1-4H2,(H2,14,15,17)
InChIKeyFFONVJSZRVROSM-UHFFFAOYSA-N
XLogP2.80
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.80
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-(4-bromo-3-nitrophenyl)-3-cyclohexylurea
CID 115766145
N-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 78795443
2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide
CID 4784963
3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 874154
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
1-cyclohexyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64780517
5-(cyclobutylcarbamoylamino)-2-fluorobenzoic acid
CID 62415401
1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea
CID 4189707
(2R)-2-cyclopentylsulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 8763649
4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide
CID 2687981
1-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea
CID 112990296
N-(4-fluoro-3-nitrophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240550

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea?
The IUPAC name of 1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea (CID 107812710) is 1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea?
The InChIKey is FFONVJSZRVROSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c13-10-6-5-9(7-11(10)16(18)19)15-12(17)14-8-3-1-2-4-8/h5-8H,1-4H2,(H2,14,15,17).
What are the key properties of 1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea?
1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea has a molecular weight of 267.26 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea is sourced from PubChem (CID 107812710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).