1-[(2,6-dichlorobenzoyl)amino]-3-phenylurea

C14H11Cl2N3O2 — CID 134118825

IUPAC1-[(2,6-dichlorobenzoyl)amino]-3-phenylurea
SMILESO=C(NNC(=O)c1c(Cl)cccc1Cl)Nc1ccccc1
InChIInChI=1S/C14H11Cl2N3O2/c15-10-7-4-8-11(16)12(10)13(20)18-19-14(21)17-9-5-2-1-3-6-9/h1-8H,(H,18,20)(H2,17,19,21)
InChIKeyGWDGVXBDLLWLRM-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.46
Rot. Bonds2

About 1-[(2,6-dichlorobenzoyl)amino]-3-phenylurea

1-[(2,6-dichlorobenzoyl)amino]-3-phenylurea (PubChem CID 134118825) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 1-[(2,6-dichlorobenzoyl)amino]-3-phenylurea.

Molecular Properties

Compound Name1-[(2,6-dichlorobenzoyl)amino]-3-phenylurea
PubChem CID134118825
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name1-[(2,6-dichlorobenzoyl)amino]-3-phenylurea
SMILESO=C(NNC(=O)c1c(Cl)cccc1Cl)Nc1ccccc1
InChIInChI=1S/C14H11Cl2N3O2/c15-10-7-4-8-11(16)12(10)13(20)18-19-14(21)17-9-5-2-1-3-6-9/h1-8H,(H,18,20)(H2,17,19,21)
InChIKeyGWDGVXBDLLWLRM-UHFFFAOYSA-N
XLogP3.46
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-chlorobenzoyl)amino]-3-phenylurea
CID 904342
2,6-dichloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 78774908
1-phenyl-3-[(4-phenylbenzoyl)amino]urea
CID 819364
2,6-dichloro-N-(4-phenyldiazenylphenyl)benzamide
CID 3386476
2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide
CID 19006403
2,4,6-trichloro-N-phenylbenzamide
CID 68933625
1-[(3-fluorobenzoyl)amino]-3-phenylurea
CID 3412170
1-anilino-3-(4-chlorophenyl)urea
CID 4167003
2,3-dichloro-N-phenylbenzamide
CID 7732866
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
1-[(2-chlorobenzoyl)amino]-3-phenylthiourea
CID 720612
1-phenyl-3-[(phenylcarbamothioylamino)carbamothioylamino]urea
CID 102154024

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorobenzoyl)amino]-3-phenylurea?
The IUPAC name of 1-[(2,6-dichlorobenzoyl)amino]-3-phenylurea (CID 134118825) is 1-[(2,6-dichlorobenzoyl)amino]-3-phenylurea.
What is the SMILES notation for 1-[(2,6-dichlorobenzoyl)amino]-3-phenylurea?
The canonical SMILES for 1-[(2,6-dichlorobenzoyl)amino]-3-phenylurea is O=C(NNC(=O)c1c(Cl)cccc1Cl)Nc1ccccc1.
What is the InChIKey of 1-[(2,6-dichlorobenzoyl)amino]-3-phenylurea?
The InChIKey is GWDGVXBDLLWLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c15-10-7-4-8-11(16)12(10)13(20)18-19-14(21)17-9-5-2-1-3-6-9/h1-8H,(H,18,20)(H2,17,19,21).
What are the key properties of 1-[(2,6-dichlorobenzoyl)amino]-3-phenylurea?
1-[(2,6-dichlorobenzoyl)amino]-3-phenylurea has a molecular weight of 324.17 g/mol, XLogP of 3.46, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorobenzoyl)amino]-3-phenylurea is sourced from PubChem (CID 134118825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).