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

C14H19ClN4O3 — CID 2978868

IUPAC1-(3-chlorophenyl)-3-(3-morpholin-4-ylpropanoylamino)urea
SMILESO=C(CCN1CCOCC1)NNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H19ClN4O3/c15-11-2-1-3-12(10-11)16-14(21)18-17-13(20)4-5-19-6-8-22-9-7-19/h1-3,10H,4-9H2,(H,17,20)(H2,16,18,21)
InChIKeyNLCOQMMLXJBPFU-UHFFFAOYSA-N
MW326.78 g/mol
LogP1.22
Rot. Bonds4

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

1-(3-chlorophenyl)-3-(3-morpholin-4-ylpropanoylamino)urea (PubChem CID 2978868) has the molecular formula C14H19ClN4O3 and a molecular weight of 326.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(3-morpholin-4-ylpropanoylamino)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(3-morpholin-4-ylpropanoylamino)urea
PubChem CID2978868
Molecular FormulaC14H19ClN4O3
Molecular Weight326.78 g/mol
Exact Mass326.11
IUPAC Name1-(3-chlorophenyl)-3-(3-morpholin-4-ylpropanoylamino)urea
SMILESO=C(CCN1CCOCC1)NNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H19ClN4O3/c15-11-2-1-3-12(10-11)16-14(21)18-17-13(20)4-5-19-6-8-22-9-7-19/h1-3,10H,4-9H2,(H,17,20)(H2,16,18,21)
InChIKeyNLCOQMMLXJBPFU-UHFFFAOYSA-N
XLogP1.22
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(3-morpholin-4-ylpropanoylamino)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(3-morpholin-4-ylpropanoylamino)urea (CID 2978868) is 1-(3-chlorophenyl)-3-(3-morpholin-4-ylpropanoylamino)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(3-morpholin-4-ylpropanoylamino)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(3-morpholin-4-ylpropanoylamino)urea is O=C(CCN1CCOCC1)NNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(3-morpholin-4-ylpropanoylamino)urea?
The InChIKey is NLCOQMMLXJBPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O3/c15-11-2-1-3-12(10-11)16-14(21)18-17-13(20)4-5-19-6-8-22-9-7-19/h1-3,10H,4-9H2,(H,17,20)(H2,16,18,21).
What are the key properties of 1-(3-chlorophenyl)-3-(3-morpholin-4-ylpropanoylamino)urea?
1-(3-chlorophenyl)-3-(3-morpholin-4-ylpropanoylamino)urea has a molecular weight of 326.78 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(3-morpholin-4-ylpropanoylamino)urea is sourced from PubChem (CID 2978868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).