1-(3-amino-5-fluorophenyl)-3-ethylurea

C9H12FN3O — CID 107334332

IUPAC1-(3-amino-5-fluorophenyl)-3-ethylurea
SMILESCCNC(=O)Nc1cc(N)cc(F)c1
InChIInChI=1S/C9H12FN3O/c1-2-12-9(14)13-8-4-6(10)3-7(11)5-8/h3-5H,2,11H2,1H3,(H2,12,13,14)
InChIKeyKKOGWDUEHNVEQR-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.55
Rot. Bonds2

About 1-(3-amino-5-fluorophenyl)-3-ethylurea

1-(3-amino-5-fluorophenyl)-3-ethylurea (PubChem CID 107334332) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-(3-amino-5-fluorophenyl)-3-ethylurea.

Molecular Properties

Compound Name1-(3-amino-5-fluorophenyl)-3-ethylurea
PubChem CID107334332
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name1-(3-amino-5-fluorophenyl)-3-ethylurea
SMILESCCNC(=O)Nc1cc(N)cc(F)c1
InChIInChI=1S/C9H12FN3O/c1-2-12-9(14)13-8-4-6(10)3-7(11)5-8/h3-5H,2,11H2,1H3,(H2,12,13,14)
InChIKeyKKOGWDUEHNVEQR-UHFFFAOYSA-N
XLogP1.55
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-5-fluorophenyl)-3-propoxypropanamide
CID 107334000
N-(3-amino-5-fluorophenyl)-4-ethoxybutanamide
CID 107334101
N-(3-amino-5-fluorophenyl)-3-methoxypropanamide
CID 107333846
1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 107334345
3-[(3,5-difluorophenyl)carbamoylamino]propanoic acid
CID 61189395
N-(3-amino-5-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 107333874
1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea
CID 29042158
N-(3-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 107333812
3-[(3-aminophenyl)carbamoylamino]-N-ethylpropanamide
CID 113410713
N-(3-amino-5-fluorophenyl)benzamide
CID 107334043
1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64781275
4-(ethylcarbamoylamino)-2,6-dimethylbenzoic acid
CID 20619421

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-fluorophenyl)-3-ethylurea?
The IUPAC name of 1-(3-amino-5-fluorophenyl)-3-ethylurea (CID 107334332) is 1-(3-amino-5-fluorophenyl)-3-ethylurea.
What is the SMILES notation for 1-(3-amino-5-fluorophenyl)-3-ethylurea?
The canonical SMILES for 1-(3-amino-5-fluorophenyl)-3-ethylurea is CCNC(=O)Nc1cc(N)cc(F)c1.
What is the InChIKey of 1-(3-amino-5-fluorophenyl)-3-ethylurea?
The InChIKey is KKOGWDUEHNVEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-2-12-9(14)13-8-4-6(10)3-7(11)5-8/h3-5H,2,11H2,1H3,(H2,12,13,14).
What are the key properties of 1-(3-amino-5-fluorophenyl)-3-ethylurea?
1-(3-amino-5-fluorophenyl)-3-ethylurea has a molecular weight of 197.21 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-fluorophenyl)-3-ethylurea is sourced from PubChem (CID 107334332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).