1-(4-chlorophenyl)-3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]urea

C14H14ClN5O5 — CID 134147310

IUPAC1-(4-chlorophenyl)-3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]urea
SMILESCN1C(=O)C(C(=O)NNC(=O)Nc2ccc(Cl)cc2)C(=O)N(C)C1=O
InChIInChI=1S/C14H14ClN5O5/c1-19-11(22)9(12(23)20(2)14(19)25)10(21)17-18-13(24)16-8-5-3-7(15)4-6-8/h3-6,9H,1-2H3,(H,17,21)(H2,16,18,24)
InChIKeyGHJRVNWTNZTDPL-UHFFFAOYSA-N
MW367.75 g/mol
LogP0.16
Rot. Bonds2

About 1-(4-chlorophenyl)-3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]urea

1-(4-chlorophenyl)-3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]urea (PubChem CID 134147310) has the molecular formula C14H14ClN5O5 and a molecular weight of 367.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]urea
PubChem CID134147310
Molecular FormulaC14H14ClN5O5
Molecular Weight367.75 g/mol
Exact Mass367.07
IUPAC Name1-(4-chlorophenyl)-3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]urea
SMILESCN1C(=O)C(C(=O)NNC(=O)Nc2ccc(Cl)cc2)C(=O)N(C)C1=O
InChIInChI=1S/C14H14ClN5O5/c1-19-11(22)9(12(23)20(2)14(19)25)10(21)17-18-13(24)16-8-5-3-7(15)4-6-8/h3-6,9H,1-2H3,(H,17,21)(H2,16,18,24)
InChIKeyGHJRVNWTNZTDPL-UHFFFAOYSA-N
XLogP0.16
TPSA127.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.75
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303
N-[4-[(3,5-dichloro-2H-pyrimidin-4-yl)oxy]phenyl]-1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
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1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]urea (CID 134147310) is 1-(4-chlorophenyl)-3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]urea is CN1C(=O)C(C(=O)NNC(=O)Nc2ccc(Cl)cc2)C(=O)N(C)C1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]urea?
The InChIKey is GHJRVNWTNZTDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O5/c1-19-11(22)9(12(23)20(2)14(19)25)10(21)17-18-13(24)16-8-5-3-7(15)4-6-8/h3-6,9H,1-2H3,(H,17,21)(H2,16,18,24).
What are the key properties of 1-(4-chlorophenyl)-3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]urea?
1-(4-chlorophenyl)-3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]urea has a molecular weight of 367.75 g/mol, XLogP of 0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbonyl)amino]urea is sourced from PubChem (CID 134147310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).