1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-(5-cyano-2-methoxyphenyl)urea

C19H19ClN4O3 — CID 71086857

IUPAC1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-(5-cyano-2-methoxyphenyl)urea
SMILESCOc1ccc(C#N)cc1NC(=O)Nc1ccc([C@H]2CNCCO2)cc1Cl
InChIInChI=1S/C19H19ClN4O3/c1-26-17-5-2-12(10-21)8-16(17)24-19(25)23-15-4-3-13(9-14(15)20)18-11-22-6-7-27-18/h2-5,8-9,18,22H,6-7,11H2,1H3,(H2,23,24,25)/t18-/m1/s1
InChIKeyUADAZOLRCDZCAL-GOSISDBHSA-N
MW386.84 g/mol
LogP3.53
Rot. Bonds4

About 1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-(5-cyano-2-methoxyphenyl)urea

1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-(5-cyano-2-methoxyphenyl)urea (PubChem CID 71086857) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-(5-cyano-2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-(5-cyano-2-methoxyphenyl)urea
PubChem CID71086857
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-(5-cyano-2-methoxyphenyl)urea
SMILESCOc1ccc(C#N)cc1NC(=O)Nc1ccc([C@H]2CNCCO2)cc1Cl
InChIInChI=1S/C19H19ClN4O3/c1-26-17-5-2-12(10-21)8-16(17)24-19(25)23-15-4-3-13(9-14(15)20)18-11-22-6-7-27-18/h2-5,8-9,18,22H,6-7,11H2,1H3,(H2,23,24,25)/t18-/m1/s1
InChIKeyUADAZOLRCDZCAL-GOSISDBHSA-N
XLogP3.53
TPSA95.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-(5-cyano-2-methoxyphenyl)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-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-(5-cyano-2-methoxyphenyl)urea?
The IUPAC name of 1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-(5-cyano-2-methoxyphenyl)urea (CID 71086857) is 1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-(5-cyano-2-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-(5-cyano-2-methoxyphenyl)urea?
The canonical SMILES for 1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-(5-cyano-2-methoxyphenyl)urea is COc1ccc(C#N)cc1NC(=O)Nc1ccc([C@H]2CNCCO2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-(5-cyano-2-methoxyphenyl)urea?
The InChIKey is UADAZOLRCDZCAL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-26-17-5-2-12(10-21)8-16(17)24-19(25)23-15-4-3-13(9-14(15)20)18-11-22-6-7-27-18/h2-5,8-9,18,22H,6-7,11H2,1H3,(H2,23,24,25)/t18-/m1/s1.
What are the key properties of 1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-(5-cyano-2-methoxyphenyl)urea?
1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-(5-cyano-2-methoxyphenyl)urea has a molecular weight of 386.84 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-(5-cyano-2-methoxyphenyl)urea is sourced from PubChem (CID 71086857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).