(5-chloro-4-oxopentyl)urea

C6H11ClN2O2 — CID 87337319

IUPAC(5-chloro-4-oxopentyl)urea
SMILESNC(=O)NCCCC(=O)CCl
InChIInChI=1S/C6H11ClN2O2/c7-4-5(10)2-1-3-9-6(8)11/h1-4H2,(H3,8,9,11)
InChIKeyVRZLDBPUFZMMHA-UHFFFAOYSA-N
MW178.62 g/mol
LogP0.24
Rot. Bonds5

About (5-chloro-4-oxopentyl)urea

(5-chloro-4-oxopentyl)urea (PubChem CID 87337319) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is (5-chloro-4-oxopentyl)urea.

Molecular Properties

Compound Name(5-chloro-4-oxopentyl)urea
PubChem CID87337319
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC Name(5-chloro-4-oxopentyl)urea
SMILESNC(=O)NCCCC(=O)CCl
InChIInChI=1S/C6H11ClN2O2/c7-4-5(10)2-1-3-9-6(8)11/h1-4H2,(H3,8,9,11)
InChIKeyVRZLDBPUFZMMHA-UHFFFAOYSA-N
XLogP0.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (5-chloro-4-oxopentyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloropropylurea
CID 6421120
5-(carbamoylamino)-2-oxopentanoic acid
CID 13154348
5-(carbamoylamino)pentanamide;hydrochloride
CID 175794567
12-hydroxydodecylurea
CID 57265418
1-chloro-5-(propylamino)pentan-2-one
CID 88823675
(5-imino-4-oxopentyl)urea
CID 90786358
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
1-(carbamoylamino)-2-(sulfinoamino)ethane
CID 90313674
3-oxopentylurea
CID 19425945
3-trifluorosilylpropylurea
CID 174136032
pentylurea;hydrate
CID 172845599
3-methoxypropylurea
CID 2064040

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-oxopentyl)urea?
The IUPAC name of (5-chloro-4-oxopentyl)urea (CID 87337319) is (5-chloro-4-oxopentyl)urea.
What is the SMILES notation for (5-chloro-4-oxopentyl)urea?
The canonical SMILES for (5-chloro-4-oxopentyl)urea is NC(=O)NCCCC(=O)CCl.
What is the InChIKey of (5-chloro-4-oxopentyl)urea?
The InChIKey is VRZLDBPUFZMMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2O2/c7-4-5(10)2-1-3-9-6(8)11/h1-4H2,(H3,8,9,11).
What are the key properties of (5-chloro-4-oxopentyl)urea?
(5-chloro-4-oxopentyl)urea has a molecular weight of 178.62 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-oxopentyl)urea is sourced from PubChem (CID 87337319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).