1-[1-(3-ethoxyphenyl)ethyl]-3-(3-fluoro-4-pyridinyl)urea

C16H18FN3O2 — CID 75506348

IUPAC1-[1-(3-ethoxyphenyl)ethyl]-3-(3-fluoro-4-pyridinyl)urea
SMILESCCOc1cccc(C(C)NC(=O)Nc2ccncc2F)c1
InChIInChI=1S/C16H18FN3O2/c1-3-22-13-6-4-5-12(9-13)11(2)19-16(21)20-15-7-8-18-10-14(15)17/h4-11H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeyRLDPPEATEXXGFE-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.50
Rot. Bonds5

About 1-[1-(3-ethoxyphenyl)ethyl]-3-(3-fluoro-4-pyridinyl)urea

1-[1-(3-ethoxyphenyl)ethyl]-3-(3-fluoro-4-pyridinyl)urea (PubChem CID 75506348) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-[1-(3-ethoxyphenyl)ethyl]-3-(3-fluoro-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[1-(3-ethoxyphenyl)ethyl]-3-(3-fluoro-4-pyridinyl)urea
PubChem CID75506348
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name1-[1-(3-ethoxyphenyl)ethyl]-3-(3-fluoro-4-pyridinyl)urea
SMILESCCOc1cccc(C(C)NC(=O)Nc2ccncc2F)c1
InChIInChI=1S/C16H18FN3O2/c1-3-22-13-6-4-5-12(9-13)11(2)19-16(21)20-15-7-8-18-10-14(15)17/h4-11H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeyRLDPPEATEXXGFE-UHFFFAOYSA-N
XLogP3.50
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-pyridinyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 107595364
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(1S)-1-(3-ethoxyphenyl)ethyl]urea
CID 95041485
N-[3-[1-[(2,5-diethoxyphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 47032890
1-[1-(3-ethoxyphenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110909256
(2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide
CID 125458965
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111432554
(2R)-2-(3-fluorophenyl)-N-(3-fluoro-4-pyridinyl)propanamide
CID 124569903
5-[1-(3-ethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685225
(2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide
CID 124574267
3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 115645750
3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 60600590

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethoxyphenyl)ethyl]-3-(3-fluoro-4-pyridinyl)urea?
The IUPAC name of 1-[1-(3-ethoxyphenyl)ethyl]-3-(3-fluoro-4-pyridinyl)urea (CID 75506348) is 1-[1-(3-ethoxyphenyl)ethyl]-3-(3-fluoro-4-pyridinyl)urea.
What is the SMILES notation for 1-[1-(3-ethoxyphenyl)ethyl]-3-(3-fluoro-4-pyridinyl)urea?
The canonical SMILES for 1-[1-(3-ethoxyphenyl)ethyl]-3-(3-fluoro-4-pyridinyl)urea is CCOc1cccc(C(C)NC(=O)Nc2ccncc2F)c1.
What is the InChIKey of 1-[1-(3-ethoxyphenyl)ethyl]-3-(3-fluoro-4-pyridinyl)urea?
The InChIKey is RLDPPEATEXXGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-3-22-13-6-4-5-12(9-13)11(2)19-16(21)20-15-7-8-18-10-14(15)17/h4-11H,3H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 1-[1-(3-ethoxyphenyl)ethyl]-3-(3-fluoro-4-pyridinyl)urea?
1-[1-(3-ethoxyphenyl)ethyl]-3-(3-fluoro-4-pyridinyl)urea has a molecular weight of 303.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethoxyphenyl)ethyl]-3-(3-fluoro-4-pyridinyl)urea is sourced from PubChem (CID 75506348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).