N-(3-chlorophenyl)-3-(dihydroxyamino)-5-(dioxidoamino)benzamide

C13H10ClN3O5-2 — CID 163126419

IUPACN-(3-chlorophenyl)-3-(dihydroxyamino)-5-(dioxidoamino)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(N([O-])[O-])cc(N(O)O)c1
InChIInChI=1S/C13H10ClN3O5/c14-9-2-1-3-10(6-9)15-13(18)8-4-11(16(19)20)7-12(5-8)17(21)22/h1-7,19-20H,(H,15,18)/q-2
InChIKeyQNOZTJJFPFHZLN-UHFFFAOYSA-N
MW323.69 g/mol
LogP2.98
Rot. Bonds4

About N-(3-chlorophenyl)-3-(dihydroxyamino)-5-(dioxidoamino)benzamide

N-(3-chlorophenyl)-3-(dihydroxyamino)-5-(dioxidoamino)benzamide (PubChem CID 163126419) has the molecular formula C13H10ClN3O5-2 and a molecular weight of 323.69 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(dihydroxyamino)-5-(dioxidoamino)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(dihydroxyamino)-5-(dioxidoamino)benzamide
PubChem CID163126419
Molecular FormulaC13H10ClN3O5-2
Molecular Weight323.69 g/mol
Exact Mass323.03
IUPAC NameN-(3-chlorophenyl)-3-(dihydroxyamino)-5-(dioxidoamino)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(N([O-])[O-])cc(N(O)O)c1
InChIInChI=1S/C13H10ClN3O5/c14-9-2-1-3-10(6-9)15-13(18)8-4-11(16(19)20)7-12(5-8)17(21)22/h1-7,19-20H,(H,15,18)/q-2
InChIKeyQNOZTJJFPFHZLN-UHFFFAOYSA-N
XLogP2.98
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.69
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(3-chlorophenyl)-3-(dihydroxyamino)-5-(dioxidoamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3,5-dichloro-N-(3-chlorophenyl)benzamide
CID 82832479
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate
CID 3383614
N-(3-chlorophenyl)-4-(nitromethyl)benzamide
CID 57301971
3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
CID 35554073
1-[3-(dihydroxyamino)-5-(dioxidoamino)phenyl]-3-phenylurea
CID 163160952
3-amino-4,5-dichloro-N-(3-chlorophenyl)benzamide
CID 61090012
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397
N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(dihydroxyamino)-5-(dioxidoamino)benzamide?
The IUPAC name of N-(3-chlorophenyl)-3-(dihydroxyamino)-5-(dioxidoamino)benzamide (CID 163126419) is N-(3-chlorophenyl)-3-(dihydroxyamino)-5-(dioxidoamino)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(dihydroxyamino)-5-(dioxidoamino)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(dihydroxyamino)-5-(dioxidoamino)benzamide is O=C(Nc1cccc(Cl)c1)c1cc(N([O-])[O-])cc(N(O)O)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(dihydroxyamino)-5-(dioxidoamino)benzamide?
The InChIKey is QNOZTJJFPFHZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O5/c14-9-2-1-3-10(6-9)15-13(18)8-4-11(16(19)20)7-12(5-8)17(21)22/h1-7,19-20H,(H,15,18)/q-2.
What are the key properties of N-(3-chlorophenyl)-3-(dihydroxyamino)-5-(dioxidoamino)benzamide?
N-(3-chlorophenyl)-3-(dihydroxyamino)-5-(dioxidoamino)benzamide has a molecular weight of 323.69 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(dihydroxyamino)-5-(dioxidoamino)benzamide is sourced from PubChem (CID 163126419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).