1-[(5-cyano-2-fluorophenyl)methyl]-3-[1-(4-ethylphenyl)-2-hydroxyethyl]urea

C19H20FN3O2 — CID 109390070

IUPAC1-[(5-cyano-2-fluorophenyl)methyl]-3-[1-(4-ethylphenyl)-2-hydroxyethyl]urea
SMILESCCc1ccc(C(CO)NC(=O)NCc2cc(C#N)ccc2F)cc1
InChIInChI=1S/C19H20FN3O2/c1-2-13-3-6-15(7-4-13)18(12-24)23-19(25)22-11-16-9-14(10-21)5-8-17(16)20/h3-9,18,24H,2,11-12H2,1H3,(H2,22,23,25)
InChIKeyYJLTZGBWMOJJDO-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.79
Rot. Bonds6

About 1-[(5-cyano-2-fluorophenyl)methyl]-3-[1-(4-ethylphenyl)-2-hydroxyethyl]urea

1-[(5-cyano-2-fluorophenyl)methyl]-3-[1-(4-ethylphenyl)-2-hydroxyethyl]urea (PubChem CID 109390070) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-[(5-cyano-2-fluorophenyl)methyl]-3-[1-(4-ethylphenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[(5-cyano-2-fluorophenyl)methyl]-3-[1-(4-ethylphenyl)-2-hydroxyethyl]urea
PubChem CID109390070
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-[(5-cyano-2-fluorophenyl)methyl]-3-[1-(4-ethylphenyl)-2-hydroxyethyl]urea
SMILESCCc1ccc(C(CO)NC(=O)NCc2cc(C#N)ccc2F)cc1
InChIInChI=1S/C19H20FN3O2/c1-2-13-3-6-15(7-4-13)18(12-24)23-19(25)22-11-16-9-14(10-21)5-8-17(16)20/h3-9,18,24H,2,11-12H2,1H3,(H2,22,23,25)
InChIKeyYJLTZGBWMOJJDO-UHFFFAOYSA-N
XLogP2.79
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-cyano-2-fluorophenyl)methyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111482961
1-[(5-cyano-2-fluorophenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 71869958
N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide
CID 63359701
1-[(5-cyano-2-fluorophenyl)methyl]-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111508733
1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(thiophen-2-ylmethyl)urea
CID 109379632
1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 109389967
3-[(5-cyano-2-fluorophenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 111508730
1-[(5-cyano-2-fluorophenyl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111508720
2-[(5-cyano-2-fluorophenyl)methylamino]-N-ethylpropanamide
CID 54953624
1-[1-(4-cyanophenyl)ethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 86994750
1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111455268
1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895473

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyano-2-fluorophenyl)methyl]-3-[1-(4-ethylphenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[(5-cyano-2-fluorophenyl)methyl]-3-[1-(4-ethylphenyl)-2-hydroxyethyl]urea (CID 109390070) is 1-[(5-cyano-2-fluorophenyl)methyl]-3-[1-(4-ethylphenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[(5-cyano-2-fluorophenyl)methyl]-3-[1-(4-ethylphenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[(5-cyano-2-fluorophenyl)methyl]-3-[1-(4-ethylphenyl)-2-hydroxyethyl]urea is CCc1ccc(C(CO)NC(=O)NCc2cc(C#N)ccc2F)cc1.
What is the InChIKey of 1-[(5-cyano-2-fluorophenyl)methyl]-3-[1-(4-ethylphenyl)-2-hydroxyethyl]urea?
The InChIKey is YJLTZGBWMOJJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-2-13-3-6-15(7-4-13)18(12-24)23-19(25)22-11-16-9-14(10-21)5-8-17(16)20/h3-9,18,24H,2,11-12H2,1H3,(H2,22,23,25).
What are the key properties of 1-[(5-cyano-2-fluorophenyl)methyl]-3-[1-(4-ethylphenyl)-2-hydroxyethyl]urea?
1-[(5-cyano-2-fluorophenyl)methyl]-3-[1-(4-ethylphenyl)-2-hydroxyethyl]urea has a molecular weight of 341.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyano-2-fluorophenyl)methyl]-3-[1-(4-ethylphenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 109390070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).