2-(naphthalene-1-carbonylamino)-4-nitrobenzoate

C18H11N2O5- — CID 6961900

IUPAC2-(naphthalene-1-carbonylamino)-4-nitrobenzoate
SMILESO=C([O-])c1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C18H12N2O5/c21-17(14-7-3-5-11-4-1-2-6-13(11)14)19-16-10-12(20(24)25)8-9-15(16)18(22)23/h1-10H,(H,19,21)(H,22,23)/p-1
InChIKeyDHOPFLFAWOZQIL-UHFFFAOYSA-M
MW335.30 g/mol
LogP2.36
Rot. Bonds4

About 2-(naphthalene-1-carbonylamino)-4-nitrobenzoate

2-(naphthalene-1-carbonylamino)-4-nitrobenzoate (PubChem CID 6961900) has the molecular formula C18H11N2O5- and a molecular weight of 335.30 g/mol. Its IUPAC name is 2-(naphthalene-1-carbonylamino)-4-nitrobenzoate.

Molecular Properties

Compound Name2-(naphthalene-1-carbonylamino)-4-nitrobenzoate
PubChem CID6961900
Molecular FormulaC18H11N2O5-
Molecular Weight335.30 g/mol
Exact Mass335.07
IUPAC Name2-(naphthalene-1-carbonylamino)-4-nitrobenzoate
SMILESO=C([O-])c1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C18H12N2O5/c21-17(14-7-3-5-11-4-1-2-6-13(11)14)19-16-10-12(20(24)25)8-9-15(16)18(22)23/h1-10H,(H,19,21)(H,22,23)/p-1
InChIKeyDHOPFLFAWOZQIL-UHFFFAOYSA-M
XLogP2.36
TPSA112.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 52.36
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

2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide
CID 6610544
2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide
CID 16963020
N-[3-[(4-nitrophenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 34636674
N-[(2-methyl-4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide
CID 2901479
N-[(2-bromo-4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide
CID 22779174
1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide
CID 3352872
2-[(3-nitrophenyl)carbamoyl]benzoate
CID 6935895
N-(2-acetyl-5-nitrophenyl)benzamide
CID 154214171
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 94847766
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 135830603
2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
CID 7900478
N-(2-iodophenyl)naphthalene-1-carboxamide
CID 11660752

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalene-1-carbonylamino)-4-nitrobenzoate?
The IUPAC name of 2-(naphthalene-1-carbonylamino)-4-nitrobenzoate (CID 6961900) is 2-(naphthalene-1-carbonylamino)-4-nitrobenzoate.
What is the SMILES notation for 2-(naphthalene-1-carbonylamino)-4-nitrobenzoate?
The canonical SMILES for 2-(naphthalene-1-carbonylamino)-4-nitrobenzoate is O=C([O-])c1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2ccccc12.
What is the InChIKey of 2-(naphthalene-1-carbonylamino)-4-nitrobenzoate?
The InChIKey is DHOPFLFAWOZQIL-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H12N2O5/c21-17(14-7-3-5-11-4-1-2-6-13(11)14)19-16-10-12(20(24)25)8-9-15(16)18(22)23/h1-10H,(H,19,21)(H,22,23)/p-1.
What are the key properties of 2-(naphthalene-1-carbonylamino)-4-nitrobenzoate?
2-(naphthalene-1-carbonylamino)-4-nitrobenzoate has a molecular weight of 335.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalene-1-carbonylamino)-4-nitrobenzoate is sourced from PubChem (CID 6961900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).