1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea

C16H18FN3O — CID 770559

IUPAC1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N(CCN)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FN3O/c1-12-2-6-14(7-3-12)19-16(21)20(11-10-18)15-8-4-13(17)5-9-15/h2-9H,10-11,18H2,1H3,(H,19,21)
InChIKeyOTTWHLXCZQOFMK-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.13
Rot. Bonds4

About 1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea

1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea (PubChem CID 770559) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea
PubChem CID770559
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N(CCN)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FN3O/c1-12-2-6-14(7-3-12)19-16(21)20(11-10-18)15-8-4-13(17)5-9-15/h2-9H,10-11,18H2,1H3,(H,19,21)
InChIKeyOTTWHLXCZQOFMK-UHFFFAOYSA-N
XLogP3.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethylazanium
CID 6941397
N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide
CID 28769273
N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42705527
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide
CID 42725862
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide
CID 42705451
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide
CID 42726462
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide
CID 42726048
2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
CID 4661824
N-(2-aminoethyl)-N-(4-fluorophenyl)acetamide
CID 28769229
1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea
CID 42705478
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide
CID 42726244
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3,5,5-trimethylhexanamide
CID 42726117

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea (CID 770559) is 1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)N(CCN)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea?
The InChIKey is OTTWHLXCZQOFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-12-2-6-14(7-3-12)19-16(21)20(11-10-18)15-8-4-13(17)5-9-15/h2-9H,10-11,18H2,1H3,(H,19,21).
What are the key properties of 1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea?
1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea has a molecular weight of 287.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 770559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).