2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide

C19H13ClN2O4 — CID 1291023

IUPAC2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C19H13ClN2O4/c20-18-12-14(22(24)25)8-11-17(18)19(23)21-13-6-9-16(10-7-13)26-15-4-2-1-3-5-15/h1-12H,(H,21,23)
InChIKeyAITLCXFLJXBOOC-UHFFFAOYSA-N
MW368.78 g/mol
LogP5.29
Rot. Bonds5

About 2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide

2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide (PubChem CID 1291023) has the molecular formula C19H13ClN2O4 and a molecular weight of 368.78 g/mol. Its IUPAC name is 2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide
PubChem CID1291023
Molecular FormulaC19H13ClN2O4
Molecular Weight368.78 g/mol
Exact Mass368.06
IUPAC Name2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C19H13ClN2O4/c20-18-12-14(22(24)25)8-11-17(18)19(23)21-13-6-9-16(10-7-13)26-15-4-2-1-3-5-15/h1-12H,(H,21,23)
InChIKeyAITLCXFLJXBOOC-UHFFFAOYSA-N
XLogP5.29
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.78
LogP ≤ 55.29
H-Bond Donors ≤ 51
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-[4-[3-[4-[(2,4-dinitrobenzoyl)amino]phenoxy]phenoxy]phenyl]-2,4-dinitrobenzamide
CID 3095747
2-chloro-4-nitro-N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]benzamide
CID 55972675
2-chloro-N-[4-[[4-[(2-chloro-4-nitrobenzoyl)amino]phenyl]methyl]phenyl]-4-nitrobenzamide
CID 5192048
N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide
CID 773732
N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide
CID 819437
2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide
CID 1350235
2-chloro-4-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2988054
2-chloro-5-nitro-N-(4-pyridin-2-yloxyphenyl)benzamide
CID 58737219
2-chloro-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-nitrobenzamide
CID 100803493
2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide
CID 23733524
2-chloro-N-[4-(diethylamino)phenyl]-4-nitrobenzamide
CID 723709
N-(4-benzamido-3-methylphenyl)-2-chloro-4-nitrobenzamide
CID 23737728

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide?
The IUPAC name of 2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide (CID 1291023) is 2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide.
What is the SMILES notation for 2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide?
The canonical SMILES for 2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide?
The InChIKey is AITLCXFLJXBOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O4/c20-18-12-14(22(24)25)8-11-17(18)19(23)21-13-6-9-16(10-7-13)26-15-4-2-1-3-5-15/h1-12H,(H,21,23).
What are the key properties of 2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide?
2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide has a molecular weight of 368.78 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide is sourced from PubChem (CID 1291023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).