1-(2-chloro-4-morpholin-2-ylphenyl)-3-(5-cyano-2-methoxyphenyl)urea

C19H19ClN4O3 — CID 71086858

IUPAC1-(2-chloro-4-morpholin-2-ylphenyl)-3-(5-cyano-2-methoxyphenyl)urea
SMILESCOc1ccc(C#N)cc1NC(=O)Nc1ccc(C2CNCCO2)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)
InChIKeyUADAZOLRCDZCAL-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.53
Rot. Bonds4

About 1-(2-chloro-4-morpholin-2-ylphenyl)-3-(5-cyano-2-methoxyphenyl)urea

1-(2-chloro-4-morpholin-2-ylphenyl)-3-(5-cyano-2-methoxyphenyl)urea (PubChem CID 71086858) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 1-(2-chloro-4-morpholin-2-ylphenyl)-3-(5-cyano-2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-chloro-4-morpholin-2-ylphenyl)-3-(5-cyano-2-methoxyphenyl)urea
PubChem CID71086858
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name1-(2-chloro-4-morpholin-2-ylphenyl)-3-(5-cyano-2-methoxyphenyl)urea
SMILESCOc1ccc(C#N)cc1NC(=O)Nc1ccc(C2CNCCO2)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)
InChIKeyUADAZOLRCDZCAL-UHFFFAOYSA-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

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Related Compounds

1-[5-cyano-2-(difluoromethoxy)phenyl]-3-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]urea;hydrochloride
CID 71087061
N-(2-chloro-4-morpholin-2-ylphenyl)-6-cyanopyridine-2-carboxamide;hydrochloride
CID 71086990
1-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
CID 71086894
6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 71498835
1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea;hydrochloride
CID 67241922
1-(2-bromo-4-morpholin-2-ylphenyl)-3-(6-cyano-3-pyridinyl)urea
CID 71086833
(5-cyano-2-methoxyphenyl)carbamic acid
CID 91205767
4-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride
CID 71087228
1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea
CID 107808221
2-[4-methoxy-3-(methoxymethyl)phenyl]morpholine
CID 117346859
2-hydroxy-3-methoxy-5-morpholin-2-ylbenzonitrile
CID 117340234
5-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
CID 103811217

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-morpholin-2-ylphenyl)-3-(5-cyano-2-methoxyphenyl)urea?
The IUPAC name of 1-(2-chloro-4-morpholin-2-ylphenyl)-3-(5-cyano-2-methoxyphenyl)urea (CID 71086858) is 1-(2-chloro-4-morpholin-2-ylphenyl)-3-(5-cyano-2-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-chloro-4-morpholin-2-ylphenyl)-3-(5-cyano-2-methoxyphenyl)urea?
The canonical SMILES for 1-(2-chloro-4-morpholin-2-ylphenyl)-3-(5-cyano-2-methoxyphenyl)urea is COc1ccc(C#N)cc1NC(=O)Nc1ccc(C2CNCCO2)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-morpholin-2-ylphenyl)-3-(5-cyano-2-methoxyphenyl)urea?
The InChIKey is UADAZOLRCDZCAL-UHFFFAOYSA-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).
What are the key properties of 1-(2-chloro-4-morpholin-2-ylphenyl)-3-(5-cyano-2-methoxyphenyl)urea?
1-(2-chloro-4-morpholin-2-ylphenyl)-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-morpholin-2-ylphenyl)-3-(5-cyano-2-methoxyphenyl)urea is sourced from PubChem (CID 71086858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).