4-chloro-N-naphthalen-2-yl-2-nitrobenzamide

C17H11ClN2O3 — CID 896015

IUPAC4-chloro-N-naphthalen-2-yl-2-nitrobenzamide
SMILESO=C(Nc1ccc2ccccc2c1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C17H11ClN2O3/c18-13-6-8-15(16(10-13)20(22)23)17(21)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H,19,21)
InChIKeyIBFCVOGZWGKFOY-UHFFFAOYSA-N
MW326.74 g/mol
LogP4.65
Rot. Bonds3

About 4-chloro-N-naphthalen-2-yl-2-nitrobenzamide

4-chloro-N-naphthalen-2-yl-2-nitrobenzamide (PubChem CID 896015) has the molecular formula C17H11ClN2O3 and a molecular weight of 326.74 g/mol. Its IUPAC name is 4-chloro-N-naphthalen-2-yl-2-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-naphthalen-2-yl-2-nitrobenzamide
PubChem CID896015
Molecular FormulaC17H11ClN2O3
Molecular Weight326.74 g/mol
Exact Mass326.05
IUPAC Name4-chloro-N-naphthalen-2-yl-2-nitrobenzamide
SMILESO=C(Nc1ccc2ccccc2c1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C17H11ClN2O3/c18-13-6-8-15(16(10-13)20(22)23)17(21)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H,19,21)
InChIKeyIBFCVOGZWGKFOY-UHFFFAOYSA-N
XLogP4.65
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide
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4-chloro-N-[4-[[4-[(4-chloro-2-nitrobenzoyl)amino]phenyl]methyl]phenyl]-2-nitrobenzamide
CID 4162132
4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide
CID 64793088
4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide
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4-chloro-2-nitro-N-(4-propan-2-yloxyphenyl)benzamide
CID 19173715
4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide
CID 9405128
4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1105898
4-chloro-N-[2-(4-methylanilino)phenyl]-2-nitrobenzamide
CID 108745100
N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-2-nitrobenzamide
CID 34198576
2-(naphthalen-2-ylcarbamoyl)-5-nitrobenzoic acid
CID 679720
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-naphthalen-2-yl-2-nitrobenzamide?
The IUPAC name of 4-chloro-N-naphthalen-2-yl-2-nitrobenzamide (CID 896015) is 4-chloro-N-naphthalen-2-yl-2-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-naphthalen-2-yl-2-nitrobenzamide?
The canonical SMILES for 4-chloro-N-naphthalen-2-yl-2-nitrobenzamide is O=C(Nc1ccc2ccccc2c1)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-N-naphthalen-2-yl-2-nitrobenzamide?
The InChIKey is IBFCVOGZWGKFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O3/c18-13-6-8-15(16(10-13)20(22)23)17(21)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H,19,21).
What are the key properties of 4-chloro-N-naphthalen-2-yl-2-nitrobenzamide?
4-chloro-N-naphthalen-2-yl-2-nitrobenzamide has a molecular weight of 326.74 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-naphthalen-2-yl-2-nitrobenzamide is sourced from PubChem (CID 896015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).