1-(5-chloro-2-methoxyphenyl)-3-[(4-hydroxybenzoyl)amino]urea

C15H14ClN3O4 — CID 4157559

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[(4-hydroxybenzoyl)amino]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NNC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H14ClN3O4/c1-23-13-7-4-10(16)8-12(13)17-15(22)19-18-14(21)9-2-5-11(20)6-3-9/h2-8,20H,1H3,(H,18,21)(H2,17,19,22)
InChIKeyPFAPDCRLTCWSHB-UHFFFAOYSA-N
MW335.75 g/mol
LogP2.52
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-[(4-hydroxybenzoyl)amino]urea

1-(5-chloro-2-methoxyphenyl)-3-[(4-hydroxybenzoyl)amino]urea (PubChem CID 4157559) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[(4-hydroxybenzoyl)amino]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[(4-hydroxybenzoyl)amino]urea
PubChem CID4157559
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[(4-hydroxybenzoyl)amino]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NNC(=O)c1ccc(O)cc1
InChIInChI=1S/C15H14ClN3O4/c1-23-13-7-4-10(16)8-12(13)17-15(22)19-18-14(21)9-2-5-11(20)6-3-9/h2-8,20H,1H3,(H,18,21)(H2,17,19,22)
InChIKeyPFAPDCRLTCWSHB-UHFFFAOYSA-N
XLogP2.52
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
1-(aminocarbamothioylamino)-3-(5-chloro-2-methoxyphenyl)urea
CID 4160329
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]urea
CID 108875470
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
1-(5-chloro-2-methoxyphenyl)-3-[(2,4-difluorophenyl)carbamothioylamino]urea
CID 17378277
dimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate
CID 2209325
4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045180
1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea
CID 108910159
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
4-chloro-N-(5-chloro-2-methoxyphenyl)-2-hydroxybenzamide
CID 29286691
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide
CID 38886565

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[(4-hydroxybenzoyl)amino]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[(4-hydroxybenzoyl)amino]urea (CID 4157559) is 1-(5-chloro-2-methoxyphenyl)-3-[(4-hydroxybenzoyl)amino]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[(4-hydroxybenzoyl)amino]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[(4-hydroxybenzoyl)amino]urea is COc1ccc(Cl)cc1NC(=O)NNC(=O)c1ccc(O)cc1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[(4-hydroxybenzoyl)amino]urea?
The InChIKey is PFAPDCRLTCWSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c1-23-13-7-4-10(16)8-12(13)17-15(22)19-18-14(21)9-2-5-11(20)6-3-9/h2-8,20H,1H3,(H,18,21)(H2,17,19,22).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[(4-hydroxybenzoyl)amino]urea?
1-(5-chloro-2-methoxyphenyl)-3-[(4-hydroxybenzoyl)amino]urea has a molecular weight of 335.75 g/mol, XLogP of 2.52, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[(4-hydroxybenzoyl)amino]urea is sourced from PubChem (CID 4157559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).