benzamido 2-chloro-4-nitrobenzoate

C14H9ClN2O5 — CID 59855635

IUPACbenzamido 2-chloro-4-nitrobenzoate
SMILESO=C(NOC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1
InChIInChI=1S/C14H9ClN2O5/c15-12-8-10(17(20)21)6-7-11(12)14(19)22-16-13(18)9-4-2-1-3-5-9/h1-8H,(H,16,18)
InChIKeyGGBJDXVXEXPMIJ-UHFFFAOYSA-N
MW320.69 g/mol
LogP2.75
Rot. Bonds3

About benzamido 2-chloro-4-nitrobenzoate

benzamido 2-chloro-4-nitrobenzoate (PubChem CID 59855635) has the molecular formula C14H9ClN2O5 and a molecular weight of 320.69 g/mol. Its IUPAC name is benzamido 2-chloro-4-nitrobenzoate.

Molecular Properties

Compound Namebenzamido 2-chloro-4-nitrobenzoate
PubChem CID59855635
Molecular FormulaC14H9ClN2O5
Molecular Weight320.69 g/mol
Exact Mass320.02
IUPAC Namebenzamido 2-chloro-4-nitrobenzoate
SMILESO=C(NOC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1
InChIInChI=1S/C14H9ClN2O5/c15-12-8-10(17(20)21)6-7-11(12)14(19)22-16-13(18)9-4-2-1-3-5-9/h1-8H,(H,16,18)
InChIKeyGGBJDXVXEXPMIJ-UHFFFAOYSA-N
XLogP2.75
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.69
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(4-chlorobenzoyl)amino] 2-chloro-5-nitrobenzoate
CID 2278448
(2-oxo-1,2-diphenylethyl) 2-chloro-4-nitrobenzoate
CID 2936140
phenacyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate
CID 46794880
(3-acetylphenyl) 2-chloro-4-nitrobenzoate
CID 8840189
2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide
CID 11239298
[(1R)-1-phenylethyl] 2-chloro-4-nitrobenzoate
CID 2195552
potassium 2-chloro-4-nitrobenzoic acid
CID 23673793
2-chloro-N'-(3-fluorobenzoyl)-4-nitrobenzohydrazide
CID 17386817
[(2S)-1-methoxy-1-oxopropan-2-yl] 2-chloro-4-nitrobenzoate
CID 7312688
[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-phenylmethanone
CID 7936754
[(2R)-1-methoxy-1-oxopropan-2-yl] 2-chloro-4-nitrobenzoate
CID 7312689
(2-fluorophenyl) 2-chloro-4-nitrobenzoate
CID 8764407

Frequently Asked Questions

What is the IUPAC name of benzamido 2-chloro-4-nitrobenzoate?
The IUPAC name of benzamido 2-chloro-4-nitrobenzoate (CID 59855635) is benzamido 2-chloro-4-nitrobenzoate.
What is the SMILES notation for benzamido 2-chloro-4-nitrobenzoate?
The canonical SMILES for benzamido 2-chloro-4-nitrobenzoate is O=C(NOC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1.
What is the InChIKey of benzamido 2-chloro-4-nitrobenzoate?
The InChIKey is GGBJDXVXEXPMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O5/c15-12-8-10(17(20)21)6-7-11(12)14(19)22-16-13(18)9-4-2-1-3-5-9/h1-8H,(H,16,18).
What are the key properties of benzamido 2-chloro-4-nitrobenzoate?
benzamido 2-chloro-4-nitrobenzoate has a molecular weight of 320.69 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzamido 2-chloro-4-nitrobenzoate is sourced from PubChem (CID 59855635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).