1-(5-cyano-2-ethoxyphenyl)-3-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]urea

C20H21FN4O3 — CID 71086926

IUPAC1-(5-cyano-2-ethoxyphenyl)-3-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]urea
SMILESCCOc1ccc(C#N)cc1NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1F
InChIInChI=1S/C20H21FN4O3/c1-2-27-18-6-3-13(11-22)9-17(18)25-20(26)24-16-5-4-14(10-15(16)21)19-12-23-7-8-28-19/h3-6,9-10,19,23H,2,7-8,12H2,1H3,(H2,24,25,26)/t19-/m0/s1
InChIKeyQAWBEKVAJMYSGM-IBGZPJMESA-N
MW384.41 g/mol
LogP3.40
Rot. Bonds5

About 1-(5-cyano-2-ethoxyphenyl)-3-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]urea

1-(5-cyano-2-ethoxyphenyl)-3-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]urea (PubChem CID 71086926) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 1-(5-cyano-2-ethoxyphenyl)-3-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-(5-cyano-2-ethoxyphenyl)-3-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]urea
PubChem CID71086926
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name1-(5-cyano-2-ethoxyphenyl)-3-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]urea
SMILESCCOc1ccc(C#N)cc1NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1F
InChIInChI=1S/C20H21FN4O3/c1-2-27-18-6-3-13(11-22)9-17(18)25-20(26)24-16-5-4-14(10-15(16)21)19-12-23-7-8-28-19/h3-6,9-10,19,23H,2,7-8,12H2,1H3,(H2,24,25,26)/t19-/m0/s1
InChIKeyQAWBEKVAJMYSGM-IBGZPJMESA-N
XLogP3.40
TPSA95.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(5-cyano-2-ethoxyphenyl)-3-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-ethoxyphenyl)-3-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]urea?
The IUPAC name of 1-(5-cyano-2-ethoxyphenyl)-3-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]urea (CID 71086926) is 1-(5-cyano-2-ethoxyphenyl)-3-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]urea.
What is the SMILES notation for 1-(5-cyano-2-ethoxyphenyl)-3-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]urea?
The canonical SMILES for 1-(5-cyano-2-ethoxyphenyl)-3-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]urea is CCOc1ccc(C#N)cc1NC(=O)Nc1ccc([C@@H]2CNCCO2)cc1F.
What is the InChIKey of 1-(5-cyano-2-ethoxyphenyl)-3-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]urea?
The InChIKey is QAWBEKVAJMYSGM-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-2-27-18-6-3-13(11-22)9-17(18)25-20(26)24-16-5-4-14(10-15(16)21)19-12-23-7-8-28-19/h3-6,9-10,19,23H,2,7-8,12H2,1H3,(H2,24,25,26)/t19-/m0/s1.
What are the key properties of 1-(5-cyano-2-ethoxyphenyl)-3-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]urea?
1-(5-cyano-2-ethoxyphenyl)-3-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]urea has a molecular weight of 384.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-ethoxyphenyl)-3-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]urea is sourced from PubChem (CID 71086926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).