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

C17H18ClN3O4 — CID 75400136

IUPAC1-(5-chloro-2-propoxyphenyl)-3-[(3-hydroxybenzoyl)amino]urea
SMILESCCCOc1ccc(Cl)cc1NC(=O)NNC(=O)c1cccc(O)c1
InChIInChI=1S/C17H18ClN3O4/c1-2-8-25-15-7-6-12(18)10-14(15)19-17(24)21-20-16(23)11-4-3-5-13(22)9-11/h3-7,9-10,22H,2,8H2,1H3,(H,20,23)(H2,19,21,24)
InChIKeyCSNQLJJWUNFSLG-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.30
Rot. Bonds5

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

1-(5-chloro-2-propoxyphenyl)-3-[(3-hydroxybenzoyl)amino]urea (PubChem CID 75400136) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is 1-(5-chloro-2-propoxyphenyl)-3-[(3-hydroxybenzoyl)amino]urea.

Molecular Properties

Compound Name1-(5-chloro-2-propoxyphenyl)-3-[(3-hydroxybenzoyl)amino]urea
PubChem CID75400136
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC Name1-(5-chloro-2-propoxyphenyl)-3-[(3-hydroxybenzoyl)amino]urea
SMILESCCCOc1ccc(Cl)cc1NC(=O)NNC(=O)c1cccc(O)c1
InChIInChI=1S/C17H18ClN3O4/c1-2-8-25-15-7-6-12(18)10-14(15)19-17(24)21-20-16(23)11-4-3-5-13(22)9-11/h3-7,9-10,22H,2,8H2,1H3,(H,20,23)(H2,19,21,24)
InChIKeyCSNQLJJWUNFSLG-UHFFFAOYSA-N
XLogP3.30
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.30
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

3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide
CID 63526145
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CID 26621830
2-bromo-N-(5-chloro-2-propoxyphenyl)butanamide
CID 62854326
3-chloro-N-(5-formyl-2-propoxyphenyl)benzamide
CID 94763029
1-(5-chloro-2-methoxyphenyl)-3-[(4-hydroxybenzoyl)amino]urea
CID 4157559
3-[(5-chloro-2-propoxyphenyl)carbamoylamino]propanoic acid
CID 122076804
1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110896841
6-bromo-N-(5-chloro-2-propoxyphenyl)pyridine-3-carboxamide
CID 66462301
N-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 115496886
N-(5-chloro-2-propoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55895644
1-(5-chloro-2-propoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 56555388
N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide
CID 61062461

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-propoxyphenyl)-3-[(3-hydroxybenzoyl)amino]urea?
The IUPAC name of 1-(5-chloro-2-propoxyphenyl)-3-[(3-hydroxybenzoyl)amino]urea (CID 75400136) is 1-(5-chloro-2-propoxyphenyl)-3-[(3-hydroxybenzoyl)amino]urea.
What is the SMILES notation for 1-(5-chloro-2-propoxyphenyl)-3-[(3-hydroxybenzoyl)amino]urea?
The canonical SMILES for 1-(5-chloro-2-propoxyphenyl)-3-[(3-hydroxybenzoyl)amino]urea is CCCOc1ccc(Cl)cc1NC(=O)NNC(=O)c1cccc(O)c1.
What is the InChIKey of 1-(5-chloro-2-propoxyphenyl)-3-[(3-hydroxybenzoyl)amino]urea?
The InChIKey is CSNQLJJWUNFSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c1-2-8-25-15-7-6-12(18)10-14(15)19-17(24)21-20-16(23)11-4-3-5-13(22)9-11/h3-7,9-10,22H,2,8H2,1H3,(H,20,23)(H2,19,21,24).
What are the key properties of 1-(5-chloro-2-propoxyphenyl)-3-[(3-hydroxybenzoyl)amino]urea?
1-(5-chloro-2-propoxyphenyl)-3-[(3-hydroxybenzoyl)amino]urea has a molecular weight of 363.80 g/mol, XLogP of 3.30, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-propoxyphenyl)-3-[(3-hydroxybenzoyl)amino]urea is sourced from PubChem (CID 75400136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).