1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-nitrophenyl)urea

C19H20FN3O4 — CID 59168710

IUPAC1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-nitrophenyl)urea
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FN3O4/c20-13-4-8-17(9-5-13)27-18-10-6-14(7-11-18)21-19(24)22-15-2-1-3-16(12-15)23(25)26/h1-5,8-9,12,14,18H,6-7,10-11H2,(H2,21,22,24)
InChIKeyBNTKRMSAWSCVLJ-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.25
Rot. Bonds5

About 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-nitrophenyl)urea

1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-nitrophenyl)urea (PubChem CID 59168710) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-nitrophenyl)urea.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-nitrophenyl)urea
PubChem CID59168710
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-nitrophenyl)urea
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FN3O4/c20-13-4-8-17(9-5-13)27-18-10-6-14(7-11-18)21-19(24)22-15-2-1-3-16(12-15)23(25)26/h1-5,8-9,12,14,18H,6-7,10-11H2,(H2,21,22,24)
InChIKeyBNTKRMSAWSCVLJ-UHFFFAOYSA-N
XLogP4.25
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.25
H-Bond Donors ≤ 52
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

1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea
CID 59168731
1-(3-nitrophenyl)-3-piperidin-4-ylurea
CID 43167665
1-(2,4-dinitroanilino)-3-[4-(4-fluorophenoxy)cyclohexyl]urea
CID 59053633
N-methyl-4-[(3-nitrophenyl)carbamoylamino]cyclohexane-1-carboxamide
CID 60600666
1-[4-(4-acetylphenoxy)cyclohexyl]-3-(4-fluorophenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea
CID 162127990
1-(2,6-dimethylphenyl)-3-[4-(4-fluorophenoxy)cyclohexyl]urea
CID 11610101
1-(3-nitrophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 95400189
1-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-nitrophenyl)urea
CID 7462537
1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylphenyl)urea
CID 11709895
1-(4-fluoroanilino)-3-(3-nitrophenyl)urea
CID 51223381
1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 122660584
1-(3,5-dimethyl-1-adamantyl)-3-[4-(4-nitrophenoxy)cyclohexyl]urea
CID 176882006

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-nitrophenyl)urea?
The IUPAC name of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-nitrophenyl)urea (CID 59168710) is 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-nitrophenyl)urea.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-nitrophenyl)urea?
The canonical SMILES for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-nitrophenyl)urea is O=C(Nc1cccc([N+](=O)[O-])c1)NC1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-nitrophenyl)urea?
The InChIKey is BNTKRMSAWSCVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c20-13-4-8-17(9-5-13)27-18-10-6-14(7-11-18)21-19(24)22-15-2-1-3-16(12-15)23(25)26/h1-5,8-9,12,14,18H,6-7,10-11H2,(H2,21,22,24).
What are the key properties of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-nitrophenyl)urea?
1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-nitrophenyl)urea has a molecular weight of 373.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-nitrophenyl)urea is sourced from PubChem (CID 59168710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).