[(4-chlorobenzoyl)amino] 4-[hydroxy(oxido)amino]benzoate

C14H10ClN2O5- — CID 21141928

IUPAC[(4-chlorobenzoyl)amino] 4-[hydroxy(oxido)amino]benzoate
SMILESO=C(NOC(=O)c1ccc(N([O-])O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN2O5/c15-11-5-1-9(2-6-11)13(18)16-22-14(19)10-3-7-12(8-4-10)17(20)21/h1-8,20H,(H,16,18)/q-1
InChIKeyDIXRICFVFMUJGV-UHFFFAOYSA-N
MW321.70 g/mol
LogP2.54
Rot. Bonds3

About [(4-chlorobenzoyl)amino] 4-[hydroxy(oxido)amino]benzoate

[(4-chlorobenzoyl)amino] 4-[hydroxy(oxido)amino]benzoate (PubChem CID 21141928) has the molecular formula C14H10ClN2O5- and a molecular weight of 321.70 g/mol. Its IUPAC name is [(4-chlorobenzoyl)amino] 4-[hydroxy(oxido)amino]benzoate.

Molecular Properties

Compound Name[(4-chlorobenzoyl)amino] 4-[hydroxy(oxido)amino]benzoate
PubChem CID21141928
Molecular FormulaC14H10ClN2O5-
Molecular Weight321.70 g/mol
Exact Mass321.03
IUPAC Name[(4-chlorobenzoyl)amino] 4-[hydroxy(oxido)amino]benzoate
SMILESO=C(NOC(=O)c1ccc(N([O-])O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN2O5/c15-11-5-1-9(2-6-11)13(18)16-22-14(19)10-3-7-12(8-4-10)17(20)21/h1-8,20H,(H,16,18)/q-1
InChIKeyDIXRICFVFMUJGV-UHFFFAOYSA-N
XLogP2.54
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.70
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(4-chlorobenzoyl)amino] 2-chloro-5-nitrobenzoate
CID 2278448
[[(E)-1-chloro-3-oxobut-1-en-2-yl]amino] 4-chlorobenzoate
CID 117061825
(4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate
CID 7179
4-chloro-N-hydroxybenzamide
CID 587178
chloro 4-chlorobenzoate
CID 67325757
benzamido N-(4-chlorophenyl)carbamate
CID 134110176
[[6-[(4-chlorobenzoyl)oxyamino]cyclohexa-1,5-dien-1-yl]amino] 4-chlorobenzoate
CID 123482367
4-chloro-N-propan-2-ylbenzamide
CID 24045
dimethylamino 4-chlorobenzoate
CID 134848983
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
4-amino-N'-(4-chlorobenzoyl)benzohydrazide
CID 785216
[[C-(4-chlorophenyl)-N-ethylcarbonimidoyl]amino] benzoate
CID 586265

Frequently Asked Questions

What is the IUPAC name of [(4-chlorobenzoyl)amino] 4-[hydroxy(oxido)amino]benzoate?
The IUPAC name of [(4-chlorobenzoyl)amino] 4-[hydroxy(oxido)amino]benzoate (CID 21141928) is [(4-chlorobenzoyl)amino] 4-[hydroxy(oxido)amino]benzoate.
What is the SMILES notation for [(4-chlorobenzoyl)amino] 4-[hydroxy(oxido)amino]benzoate?
The canonical SMILES for [(4-chlorobenzoyl)amino] 4-[hydroxy(oxido)amino]benzoate is O=C(NOC(=O)c1ccc(N([O-])O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [(4-chlorobenzoyl)amino] 4-[hydroxy(oxido)amino]benzoate?
The InChIKey is DIXRICFVFMUJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN2O5/c15-11-5-1-9(2-6-11)13(18)16-22-14(19)10-3-7-12(8-4-10)17(20)21/h1-8,20H,(H,16,18)/q-1.
What are the key properties of [(4-chlorobenzoyl)amino] 4-[hydroxy(oxido)amino]benzoate?
[(4-chlorobenzoyl)amino] 4-[hydroxy(oxido)amino]benzoate has a molecular weight of 321.70 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorobenzoyl)amino] 4-[hydroxy(oxido)amino]benzoate is sourced from PubChem (CID 21141928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).