1-(3,4-dichlorophenyl)-3-morpholin-4-ylurea

C11H13Cl2N3O2 — CID 855067

IUPAC1-(3,4-dichlorophenyl)-3-morpholin-4-ylurea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)NN1CCOCC1
InChIInChI=1S/C11H13Cl2N3O2/c12-9-2-1-8(7-10(9)13)14-11(17)15-16-3-5-18-6-4-16/h1-2,7H,3-6H2,(H2,14,15,17)
InChIKeySPTOGBISZMPEEY-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.36
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-morpholin-4-ylurea

1-(3,4-dichlorophenyl)-3-morpholin-4-ylurea (PubChem CID 855067) has the molecular formula C11H13Cl2N3O2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-morpholin-4-ylurea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-morpholin-4-ylurea
PubChem CID855067
Molecular FormulaC11H13Cl2N3O2
Molecular Weight290.15 g/mol
Exact Mass289.04
IUPAC Name1-(3,4-dichlorophenyl)-3-morpholin-4-ylurea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)NN1CCOCC1
InChIInChI=1S/C11H13Cl2N3O2/c12-9-2-1-8(7-10(9)13)14-11(17)15-16-3-5-18-6-4-16/h1-2,7H,3-6H2,(H2,14,15,17)
InChIKeySPTOGBISZMPEEY-UHFFFAOYSA-N
XLogP2.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)morpholine-4-carboxamide
CID 759971
4-(3-Chlorophenylcarbamoyl)morpholine
CID 707647
N-(3,4-dichlorophenyl)morpholine-4-carboxamide
CID 3863406
1-(3-Chloro-4-fluorophenyl)-3-morpholin-4-ylthiourea
CID 840875
1-(4-Chlorophenyl)-3-morpholinothiourea
CID 4179018
1-(3,4-Dichloro-phenyl)-3-(2-vinyloxy-ethyl)-urea
CID 646703
N-(3,4-dichlorophenyl)-N'-[4-(4-morpholinyl)phenyl]urea
CID 1188017
N-(2,3-dichlorophenyl)-N'-(4-methyl-1-piperazinyl)urea
CID 2954199
1-(3-Chlorophenyl)-3-(3-morpholin-4-ylpropanoylamino)urea
CID 2978868
N-(3,4-dichlorophenyl)-N'-4-morpholinylthiourea
CID 970410
Ethyl {2-[(3,4-dichloroanilino)carbonyl]hydrazino}acetate
CID 8142369
N-(3,4-dichlorophenyl)morpholine-4-carbothioamide
CID 773259

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-morpholin-4-ylurea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-morpholin-4-ylurea (CID 855067) is 1-(3,4-dichlorophenyl)-3-morpholin-4-ylurea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-morpholin-4-ylurea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-morpholin-4-ylurea is O=C(Nc1ccc(Cl)c(Cl)c1)NN1CCOCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-morpholin-4-ylurea?
The InChIKey is SPTOGBISZMPEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O2/c12-9-2-1-8(7-10(9)13)14-11(17)15-16-3-5-18-6-4-16/h1-2,7H,3-6H2,(H2,14,15,17).
What are the key properties of 1-(3,4-dichlorophenyl)-3-morpholin-4-ylurea?
1-(3,4-dichlorophenyl)-3-morpholin-4-ylurea has a molecular weight of 290.15 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-morpholin-4-ylurea is sourced from PubChem (CID 855067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).