1-(2-chlorophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea

C14H20ClN3O3 — CID 126841019

IUPAC1-(2-chlorophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea
SMILESO=C(Nc1ccccc1Cl)NC(CO)CN1CCOCC1
InChIInChI=1S/C14H20ClN3O3/c15-12-3-1-2-4-13(12)17-14(20)16-11(10-19)9-18-5-7-21-8-6-18/h1-4,11,19H,5-10H2,(H2,16,17,20)
InChIKeyQLBYWWTVLOJDMD-UHFFFAOYSA-N
MW313.78 g/mol
LogP1.15
Rot. Bonds5

About 1-(2-chlorophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea

1-(2-chlorophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea (PubChem CID 126841019) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea
PubChem CID126841019
Molecular FormulaC14H20ClN3O3
Molecular Weight313.78 g/mol
Exact Mass313.12
IUPAC Name1-(2-chlorophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea
SMILESO=C(Nc1ccccc1Cl)NC(CO)CN1CCOCC1
InChIInChI=1S/C14H20ClN3O3/c15-12-3-1-2-4-13(12)17-14(20)16-11(10-19)9-18-5-7-21-8-6-18/h1-4,11,19H,5-10H2,(H2,16,17,20)
InChIKeyQLBYWWTVLOJDMD-UHFFFAOYSA-N
XLogP1.15
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyanophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea
CID 126841018
1-(2-chlorophenyl)-3-pentan-3-ylurea
CID 47103627
1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60898557
N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291374
1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea
CID 108888338
N-[5-[(2-chlorophenyl)carbamoylamino]-2-methoxyphenyl]-2-morpholin-4-ylacetamide
CID 3568292
N-(2-chlorophenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109008426
N-(2-chlorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 78802177
2-[(2-chlorophenyl)carbamoylamino]propanoic acid
CID 3838662
1-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
CID 125447273
1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55696727
1-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea (CID 126841019) is 1-(2-chlorophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea is O=C(Nc1ccccc1Cl)NC(CO)CN1CCOCC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea?
The InChIKey is QLBYWWTVLOJDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c15-12-3-1-2-4-13(12)17-14(20)16-11(10-19)9-18-5-7-21-8-6-18/h1-4,11,19H,5-10H2,(H2,16,17,20).
What are the key properties of 1-(2-chlorophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea?
1-(2-chlorophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea has a molecular weight of 313.78 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea is sourced from PubChem (CID 126841019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).