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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Related Compounds

4-(3-Chlorophenylcarbamoyl)morpholine
CID 707647
N-(4-Chloro-phenyl)-3-morpholin-4-yl-propionamide
CID 24746939
1-(4-Chlorophenyl)-3-[(2-morpholin-4-ylacetyl)amino]thiourea
CID 2981868
1-[N-(4-chlorophenyl)-carbamoyl]-4-[4-(3-oxo-4-morpholinyl)-phenyl]-2-propylsemicarbazide
CID 10343499
N-(4-chlorophenyl)-3-morpholin-4-ylpropanamide
CID 567618
N-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanamide
CID 2804748
1-[3-(4-Benzylpiperazin-1-yl)propanoylamino]-3-(3-chlorophenyl)urea
CID 2982183
1-(3,4-Dichlorophenyl)-3-morpholin-4-ylurea
CID 855067
N-(3-Chlorophenyl)-N'-(4-morpholinyl)urea
CID 4356493
N-(3-chloro-4-fluorophenyl)-3-(2-morpholinoethyl)-4-oxotetrahydropyrimidine-1(2h)-carboxamide
CID 155294814
N-(3-chlorophenyl)-3-morpholin-4-ylpropanamide
CID 36003597
N-(3-chlorophenyl)-3-(4-morpholin-4-ylpiperidin-1-yl)propanamide
CID 91829242

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).