2-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid

C18H12N2O5 — CID 679720

IUPAC2-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid
SMILESO=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H12N2O5/c21-17(15-8-7-14(20(24)25)10-16(15)18(22)23)19-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,19,21)(H,22,23)
InChIKeyHBWWYSCNISQOGN-UHFFFAOYSA-N
MW336.30 g/mol
LogP3.70
Rot. Bonds4

About 2-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid

2-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid (PubChem CID 679720) has the molecular formula C18H12N2O5 and a molecular weight of 336.30 g/mol. Its IUPAC name is 2-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid.

Molecular Properties

Compound Name2-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid
PubChem CID679720
Molecular FormulaC18H12N2O5
Molecular Weight336.30 g/mol
Exact Mass336.07
IUPAC Name2-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid
SMILESO=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H12N2O5/c21-17(15-8-7-14(20(24)25)10-16(15)18(22)23)19-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,19,21)(H,22,23)
InChIKeyHBWWYSCNISQOGN-UHFFFAOYSA-N
XLogP3.70
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-naphthalen-2-yl-2,4-dinitrobenzamide
CID 3090080
2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide
CID 8762252
N-naphthalen-2-yl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 9068527
1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide
CID 3352872
4-chloro-N-naphthalen-2-yl-2-nitrobenzamide
CID 896015
2-[[4-[(2-carboxy-4-nitrobenzoyl)amino]anilino]oxymethyl]-5-nitrobenzoic acid
CID 20733128
2-[(3,5-dichlorophenyl)carbamoyl]-4-nitrobenzoic acid
CID 126380677
bis(4-nitrophthalic acid);zirconium
CID 5176883
2-chloro-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)-5-nitrobenzamide
CID 2173634
4-nitro-2-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 3942380
2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid
CID 16776660
2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide
CID 1291023

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid?
The IUPAC name of 2-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid (CID 679720) is 2-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid.
What is the SMILES notation for 2-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid?
The canonical SMILES for 2-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid is O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid?
The InChIKey is HBWWYSCNISQOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O5/c21-17(15-8-7-14(20(24)25)10-16(15)18(22)23)19-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,19,21)(H,22,23).
What are the key properties of 2-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid?
2-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid has a molecular weight of 336.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid is sourced from PubChem (CID 679720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).