[4-chloro-5-methyl-2-(morpholin-2-ylmethoxy)phenyl]urea

C13H18ClN3O3 — CID 175102122

IUPAC[4-chloro-5-methyl-2-(morpholin-2-ylmethoxy)phenyl]urea
SMILESCc1cc(NC(N)=O)c(OCC2CNCCO2)cc1Cl
InChIInChI=1S/C13H18ClN3O3/c1-8-4-11(17-13(15)18)12(5-10(8)14)20-7-9-6-16-2-3-19-9/h4-5,9,16H,2-3,6-7H2,1H3,(H3,15,17,18)
InChIKeyUNBFYAVEEIHKTN-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.51
Rot. Bonds4

About [4-chloro-5-methyl-2-(morpholin-2-ylmethoxy)phenyl]urea

[4-chloro-5-methyl-2-(morpholin-2-ylmethoxy)phenyl]urea (PubChem CID 175102122) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is [4-chloro-5-methyl-2-(morpholin-2-ylmethoxy)phenyl]urea.

Molecular Properties

Compound Name[4-chloro-5-methyl-2-(morpholin-2-ylmethoxy)phenyl]urea
PubChem CID175102122
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name[4-chloro-5-methyl-2-(morpholin-2-ylmethoxy)phenyl]urea
SMILESCc1cc(NC(N)=O)c(OCC2CNCCO2)cc1Cl
InChIInChI=1S/C13H18ClN3O3/c1-8-4-11(17-13(15)18)12(5-10(8)14)20-7-9-6-16-2-3-19-9/h4-5,9,16H,2-3,6-7H2,1H3,(H3,15,17,18)
InChIKeyUNBFYAVEEIHKTN-UHFFFAOYSA-N
XLogP1.51
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-morpholin-2-yl]methoxy]benzamide
CID 175701608
1-[5-chloro-4-methylsulfanyl-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11955457
N-[2-chloro-4-[(5-methylpyrazin-2-yl)carbamoylamino]-5-[[(2S)-morpholin-2-yl]methoxy]phenyl]-2-methylpropanamide
CID 11956094
(2R)-2-[(2-chlorophenoxy)methyl]morpholine
CID 42048764
2-[(3,6-dichloropyridazin-4-yl)oxymethyl]morpholine
CID 114468893
1-(5-methylpyrazin-2-yl)-3-[2-[[(2R)-morpholin-2-yl]methoxy]-5-sulfanylphenyl]urea
CID 143303789
1-[5-bromo-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11956053
2-[(4-bromo-2-chlorophenoxy)methyl]morpholine
CID 64535074
1-[5-methoxy-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11955977
1-[5-bromo-4-methyl-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea;1-[5-chloro-2-(thiomorpholin-2-ylmethoxy)phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 69071396
(2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine
CID 170342980
2-[(2-ethoxyphenoxy)methyl]morpholine;methane
CID 158820908

Frequently Asked Questions

What is the IUPAC name of [4-chloro-5-methyl-2-(morpholin-2-ylmethoxy)phenyl]urea?
The IUPAC name of [4-chloro-5-methyl-2-(morpholin-2-ylmethoxy)phenyl]urea (CID 175102122) is [4-chloro-5-methyl-2-(morpholin-2-ylmethoxy)phenyl]urea.
What is the SMILES notation for [4-chloro-5-methyl-2-(morpholin-2-ylmethoxy)phenyl]urea?
The canonical SMILES for [4-chloro-5-methyl-2-(morpholin-2-ylmethoxy)phenyl]urea is Cc1cc(NC(N)=O)c(OCC2CNCCO2)cc1Cl.
What is the InChIKey of [4-chloro-5-methyl-2-(morpholin-2-ylmethoxy)phenyl]urea?
The InChIKey is UNBFYAVEEIHKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-8-4-11(17-13(15)18)12(5-10(8)14)20-7-9-6-16-2-3-19-9/h4-5,9,16H,2-3,6-7H2,1H3,(H3,15,17,18).
What are the key properties of [4-chloro-5-methyl-2-(morpholin-2-ylmethoxy)phenyl]urea?
[4-chloro-5-methyl-2-(morpholin-2-ylmethoxy)phenyl]urea has a molecular weight of 299.76 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-5-methyl-2-(morpholin-2-ylmethoxy)phenyl]urea is sourced from PubChem (CID 175102122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).