3-[(2,4-dichlorobenzoyl)amino]-1,1-dimethylurea

C10H11Cl2N3O2 — CID 134094710

IUPAC3-[(2,4-dichlorobenzoyl)amino]-1,1-dimethylurea
SMILESCN(C)C(=O)NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2N3O2/c1-15(2)10(17)14-13-9(16)7-4-3-6(11)5-8(7)12/h3-5H,1-2H3,(H,13,16)(H,14,17)
InChIKeyQJCIJUWDHQZSIV-UHFFFAOYSA-N
MW276.12 g/mol
LogP1.91
Rot. Bonds1

About 3-[(2,4-dichlorobenzoyl)amino]-1,1-dimethylurea

3-[(2,4-dichlorobenzoyl)amino]-1,1-dimethylurea (PubChem CID 134094710) has the molecular formula C10H11Cl2N3O2 and a molecular weight of 276.12 g/mol. Its IUPAC name is 3-[(2,4-dichlorobenzoyl)amino]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(2,4-dichlorobenzoyl)amino]-1,1-dimethylurea
PubChem CID134094710
Molecular FormulaC10H11Cl2N3O2
Molecular Weight276.12 g/mol
Exact Mass275.02
IUPAC Name3-[(2,4-dichlorobenzoyl)amino]-1,1-dimethylurea
SMILESCN(C)C(=O)NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2N3O2/c1-15(2)10(17)14-13-9(16)7-4-3-6(11)5-8(7)12/h3-5H,1-2H3,(H,13,16)(H,14,17)
InChIKeyQJCIJUWDHQZSIV-UHFFFAOYSA-N
XLogP1.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dichlorobenzoyl)amino]carbamodithioate
CID 135747047
2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid
CID 1010177
N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 36706576
2,4-dichloro-N'-(4-propan-2-yloxybenzoyl)benzohydrazide
CID 4952081
2,4-dichloro-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163582
2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide
CID 114295303
N'-acetyl-2,5-dichlorobenzohydrazide
CID 47099470
1-butyl-3-[(2,4-dichlorobenzoyl)amino]thiourea
CID 40648193
1-[(2,4-dichlorobenzoyl)amino]-3-(4-methylsulfanylphenyl)urea
CID 134103806
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide
CID 4507508
2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3591876

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorobenzoyl)amino]-1,1-dimethylurea?
The IUPAC name of 3-[(2,4-dichlorobenzoyl)amino]-1,1-dimethylurea (CID 134094710) is 3-[(2,4-dichlorobenzoyl)amino]-1,1-dimethylurea.
What is the SMILES notation for 3-[(2,4-dichlorobenzoyl)amino]-1,1-dimethylurea?
The canonical SMILES for 3-[(2,4-dichlorobenzoyl)amino]-1,1-dimethylurea is CN(C)C(=O)NNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichlorobenzoyl)amino]-1,1-dimethylurea?
The InChIKey is QJCIJUWDHQZSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O2/c1-15(2)10(17)14-13-9(16)7-4-3-6(11)5-8(7)12/h3-5H,1-2H3,(H,13,16)(H,14,17).
What are the key properties of 3-[(2,4-dichlorobenzoyl)amino]-1,1-dimethylurea?
3-[(2,4-dichlorobenzoyl)amino]-1,1-dimethylurea has a molecular weight of 276.12 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorobenzoyl)amino]-1,1-dimethylurea is sourced from PubChem (CID 134094710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).