1-(2,6-dichlorophenyl)-3-[(4-hydroxybenzoyl)amino]urea

C14H11Cl2N3O3 — CID 3557279

IUPAC1-(2,6-dichlorophenyl)-3-[(4-hydroxybenzoyl)amino]urea
SMILESO=C(NNC(=O)c1ccc(O)cc1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2N3O3/c15-10-2-1-3-11(16)12(10)17-14(22)19-18-13(21)8-4-6-9(20)7-5-8/h1-7,20H,(H,18,21)(H2,17,19,22)
InChIKeyLWIBXMMMUQAJJM-UHFFFAOYSA-N
MW340.17 g/mol
LogP3.17
Rot. Bonds2

About 1-(2,6-dichlorophenyl)-3-[(4-hydroxybenzoyl)amino]urea

1-(2,6-dichlorophenyl)-3-[(4-hydroxybenzoyl)amino]urea (PubChem CID 3557279) has the molecular formula C14H11Cl2N3O3 and a molecular weight of 340.17 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-[(4-hydroxybenzoyl)amino]urea.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-[(4-hydroxybenzoyl)amino]urea
PubChem CID3557279
Molecular FormulaC14H11Cl2N3O3
Molecular Weight340.17 g/mol
Exact Mass339.02
IUPAC Name1-(2,6-dichlorophenyl)-3-[(4-hydroxybenzoyl)amino]urea
SMILESO=C(NNC(=O)c1ccc(O)cc1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2N3O3/c15-10-2-1-3-11(16)12(10)17-14(22)19-18-13(21)8-4-6-9(20)7-5-8/h1-7,20H,(H,18,21)(H2,17,19,22)
InChIKeyLWIBXMMMUQAJJM-UHFFFAOYSA-N
XLogP3.17
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dichlorophenyl)-3-methylurea
CID 3018146
N-(2,6-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044377
1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea
CID 4825619
1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea
CID 4850582
1-(5-chloro-2-methoxyphenyl)-3-[(4-hydroxybenzoyl)amino]urea
CID 4157559
3-bromo-N-(2,6-dichlorophenyl)prop-2-ynamide
CID 130744415
N-[(2,6-dichlorophenyl)methylideneamino]-4-hydroxybenzamide
CID 773943
N-(2-bromo-6-chlorophenyl)benzamide
CID 13226852
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea
CID 108868832
1-[(2,6-dichlorobenzoyl)amino]-3-phenylurea
CID 134118825
4-amino-N-[(2-chloro-6-fluorophenyl)carbamoyl]benzamide
CID 108896594
N-(2-chloro-6-methylphenyl)-4-hydroxy-2-methylbenzamide
CID 103865613

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-[(4-hydroxybenzoyl)amino]urea?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-[(4-hydroxybenzoyl)amino]urea (CID 3557279) is 1-(2,6-dichlorophenyl)-3-[(4-hydroxybenzoyl)amino]urea.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-[(4-hydroxybenzoyl)amino]urea?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-[(4-hydroxybenzoyl)amino]urea is O=C(NNC(=O)c1ccc(O)cc1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-[(4-hydroxybenzoyl)amino]urea?
The InChIKey is LWIBXMMMUQAJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O3/c15-10-2-1-3-11(16)12(10)17-14(22)19-18-13(21)8-4-6-9(20)7-5-8/h1-7,20H,(H,18,21)(H2,17,19,22).
What are the key properties of 1-(2,6-dichlorophenyl)-3-[(4-hydroxybenzoyl)amino]urea?
1-(2,6-dichlorophenyl)-3-[(4-hydroxybenzoyl)amino]urea has a molecular weight of 340.17 g/mol, XLogP of 3.17, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-[(4-hydroxybenzoyl)amino]urea is sourced from PubChem (CID 3557279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).