2-chloro-5-[(4-nitrobenzoyl)amino]benzoate

C14H8ClN2O5- — CID 7473349

IUPAC2-chloro-5-[(4-nitrobenzoyl)amino]benzoate
SMILESO=C(Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9ClN2O5/c15-12-6-3-9(7-11(12)14(19)20)16-13(18)8-1-4-10(5-2-8)17(21)22/h1-7H,(H,16,18)(H,19,20)/p-1
InChIKeyAPIUTCKDBRJESN-UHFFFAOYSA-M
MW319.68 g/mol
LogP1.86
Rot. Bonds4

About 2-chloro-5-[(4-nitrobenzoyl)amino]benzoate

2-chloro-5-[(4-nitrobenzoyl)amino]benzoate (PubChem CID 7473349) has the molecular formula C14H8ClN2O5- and a molecular weight of 319.68 g/mol. Its IUPAC name is 2-chloro-5-[(4-nitrobenzoyl)amino]benzoate.

Molecular Properties

Compound Name2-chloro-5-[(4-nitrobenzoyl)amino]benzoate
PubChem CID7473349
Molecular FormulaC14H8ClN2O5-
Molecular Weight319.68 g/mol
Exact Mass319.01
IUPAC Name2-chloro-5-[(4-nitrobenzoyl)amino]benzoate
SMILESO=C(Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9ClN2O5/c15-12-6-3-9(7-11(12)14(19)20)16-13(18)8-1-4-10(5-2-8)17(21)22/h1-7H,(H,16,18)(H,19,20)/p-1
InChIKeyAPIUTCKDBRJESN-UHFFFAOYSA-M
XLogP1.86
TPSA112.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.68
LogP ≤ 51.86
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

N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide
CID 4636309
N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide
CID 47064408
2-[(3,4-dichlorophenyl)carbamoyl]-4-nitrobenzoate
CID 7386526
N-(3,4-dinitrophenyl)-4-nitrobenzamide
CID 5185042
N-[4-acetyl-3-(hydrazinecarbonyl)phenyl]-4-nitrobenzamide
CID 54400457
2-chloro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-5-nitrobenzamide
CID 26252770
4-nitro-N-[6-[(4-nitrobenzoyl)amino]-9,10-dioxoanthracen-2-yl]benzamide
CID 5207304
N-(4-amino-3-methylphenyl)-4-nitrobenzamide
CID 147874410
[2-chloro-5-[(4-nitrobenzoyl)amino]phenyl]sulfonyl-(4-chlorophenyl)azanide
CID 26654448
N-[4-methyl-3-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4607530
N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-nitrobenzamide
CID 3476047
N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide
CID 62908932

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-nitrobenzoyl)amino]benzoate?
The IUPAC name of 2-chloro-5-[(4-nitrobenzoyl)amino]benzoate (CID 7473349) is 2-chloro-5-[(4-nitrobenzoyl)amino]benzoate.
What is the SMILES notation for 2-chloro-5-[(4-nitrobenzoyl)amino]benzoate?
The canonical SMILES for 2-chloro-5-[(4-nitrobenzoyl)amino]benzoate is O=C(Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-chloro-5-[(4-nitrobenzoyl)amino]benzoate?
The InChIKey is APIUTCKDBRJESN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H9ClN2O5/c15-12-6-3-9(7-11(12)14(19)20)16-13(18)8-1-4-10(5-2-8)17(21)22/h1-7H,(H,16,18)(H,19,20)/p-1.
What are the key properties of 2-chloro-5-[(4-nitrobenzoyl)amino]benzoate?
2-chloro-5-[(4-nitrobenzoyl)amino]benzoate has a molecular weight of 319.68 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-nitrobenzoyl)amino]benzoate is sourced from PubChem (CID 7473349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).