1-(4-chlorophenyl)-3-(morpholin-3-ylmethyl)urea

C12H16ClN3O2 — CID 103548785

IUPAC1-(4-chlorophenyl)-3-(morpholin-3-ylmethyl)urea
SMILESO=C(NCC1COCCN1)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN3O2/c13-9-1-3-10(4-2-9)16-12(17)15-7-11-8-18-6-5-14-11/h1-4,11,14H,5-8H2,(H2,15,16,17)
InChIKeyWOXYEUZTMVSHRY-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.45
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(morpholin-3-ylmethyl)urea

1-(4-chlorophenyl)-3-(morpholin-3-ylmethyl)urea (PubChem CID 103548785) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(morpholin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(morpholin-3-ylmethyl)urea
PubChem CID103548785
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name1-(4-chlorophenyl)-3-(morpholin-3-ylmethyl)urea
SMILESO=C(NCC1COCCN1)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN3O2/c13-9-1-3-10(4-2-9)16-12(17)15-7-11-8-18-6-5-14-11/h1-4,11,14H,5-8H2,(H2,15,16,17)
InChIKeyWOXYEUZTMVSHRY-UHFFFAOYSA-N
XLogP1.45
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-(morpholin-3-ylmethyl)urea
CID 103548754
1-(4-chlorophenyl)-3-[2-[(2S)-pyrrolidin-2-yl]ethyl]urea
CID 104972330
2-fluoro-6-hydroxy-N-(morpholin-3-ylmethyl)benzamide
CID 107016112
morpholin-3-ylmethylurea
CID 103548775
1-(morpholin-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 103548783
1-(4-hydroxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235796
4-(morpholin-3-ylmethylamino)benzamide
CID 103549364
4-fluoro-3-methyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548729
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(morpholin-3-ylmethyl)urea
CID 167892244
2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548347
1-(1-adamantyl)-3-(morpholin-3-ylmethyl)urea
CID 103548771
2-hydroxy-N-(morpholin-3-ylmethyl)-2-phenylacetamide
CID 103548723

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(morpholin-3-ylmethyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(morpholin-3-ylmethyl)urea (CID 103548785) is 1-(4-chlorophenyl)-3-(morpholin-3-ylmethyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(morpholin-3-ylmethyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(morpholin-3-ylmethyl)urea is O=C(NCC1COCCN1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(morpholin-3-ylmethyl)urea?
The InChIKey is WOXYEUZTMVSHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-9-1-3-10(4-2-9)16-12(17)15-7-11-8-18-6-5-14-11/h1-4,11,14H,5-8H2,(H2,15,16,17).
What are the key properties of 1-(4-chlorophenyl)-3-(morpholin-3-ylmethyl)urea?
1-(4-chlorophenyl)-3-(morpholin-3-ylmethyl)urea has a molecular weight of 269.73 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(morpholin-3-ylmethyl)urea is sourced from PubChem (CID 103548785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).