1-(3-chlorophenyl)-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]urea

C22H17ClN4O3 — CID 133064039

IUPAC1-(3-chlorophenyl)-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]urea
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H17ClN4O3/c23-14-6-5-7-15(12-14)24-22(30)26-25-20(28)13-27-18-10-3-1-8-16(18)21(29)17-9-2-4-11-19(17)27/h1-12H,13H2,(H,25,28)(H2,24,26,30)
InChIKeyFACNDSTVTKKROT-UHFFFAOYSA-N
MW420.86 g/mol
LogP3.66
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]urea

1-(3-chlorophenyl)-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]urea (PubChem CID 133064039) has the molecular formula C22H17ClN4O3 and a molecular weight of 420.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]urea
PubChem CID133064039
Molecular FormulaC22H17ClN4O3
Molecular Weight420.86 g/mol
Exact Mass420.10
IUPAC Name1-(3-chlorophenyl)-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]urea
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H17ClN4O3/c23-14-6-5-7-15(12-14)24-22(30)26-25-20(28)13-27-18-10-3-1-8-16(18)21(29)17-9-2-4-11-19(17)27/h1-12H,13H2,(H,25,28)(H2,24,26,30)
InChIKeyFACNDSTVTKKROT-UHFFFAOYSA-N
XLogP3.66
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.86
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-(9-oxoacridin-10-yl)acetamide
CID 15991917
2-(3-chloro-9-oxoacridin-10-yl)-N-(3-chlorophenyl)acetamide
CID 22330394
N-(3-chlorophenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721691
4-chloro-2-methoxy-N'-[2-(9-oxoacridin-10-yl)acetyl]benzohydrazide
CID 31863120
2-(azepan-1-yl)-N-[3-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]acetamide
CID 60622690
N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide
CID 51339146
2-(3-chloro-9-oxoacridin-10-yl)-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 6615367
N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 46857114
2-(2-methoxy-9-oxoacridin-10-yl)-N-(3-methoxyphenyl)acetamide
CID 15992736
1-(3-chlorophenyl)-3-(heptanoylamino)urea
CID 5162671
N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide
CID 22430065
2-(2-fluoro-9-oxoacridin-10-yl)-N-phenylacetamide
CID 166637503

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]urea (CID 133064039) is 1-(3-chlorophenyl)-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]urea is O=C(Cn1c2ccccc2c(=O)c2ccccc21)NNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]urea?
The InChIKey is FACNDSTVTKKROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3/c23-14-6-5-7-15(12-14)24-22(30)26-25-20(28)13-27-18-10-3-1-8-16(18)21(29)17-9-2-4-11-19(17)27/h1-12H,13H2,(H,25,28)(H2,24,26,30).
What are the key properties of 1-(3-chlorophenyl)-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]urea?
1-(3-chlorophenyl)-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]urea has a molecular weight of 420.86 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]urea is sourced from PubChem (CID 133064039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).