2-chloro-5-nitro-N-(4-phenylphenyl)benzamide

C19H13ClN2O3 — CID 7712569

IUPAC2-chloro-5-nitro-N-(4-phenylphenyl)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C19H13ClN2O3/c20-18-11-10-16(22(24)25)12-17(18)19(23)21-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,21,23)
InChIKeyLRWBDRVYKJKDLD-UHFFFAOYSA-N
MW352.78 g/mol
LogP5.17
Rot. Bonds4

About 2-chloro-5-nitro-N-(4-phenylphenyl)benzamide

2-chloro-5-nitro-N-(4-phenylphenyl)benzamide (PubChem CID 7712569) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-(4-phenylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-(4-phenylphenyl)benzamide
PubChem CID7712569
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name2-chloro-5-nitro-N-(4-phenylphenyl)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C19H13ClN2O3/c20-18-11-10-16(22(24)25)12-17(18)19(23)21-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,21,23)
InChIKeyLRWBDRVYKJKDLD-UHFFFAOYSA-N
XLogP5.17
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.78
LogP ≤ 55.17
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

2-Chloro-5-nitrobenzanilide
CID 644213
N-(3,4-Dichlorophenyl)-2-methyl-3-nitrobenzamide
CID 773731
1-(2-Chloro-5-nitrobenzoyl)-4-phenylpiperazine
CID 710808
2-Chloro-4'-nitrobenzanilide
CID 2787761
N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide
CID 799096
2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide
CID 3706142
N-(4-chlorophenyl)-2-(4-nitrophenyl)acetamide
CID 698255
N-(naphthalen-2-yl)-3-nitrobenzamide
CID 3822603
2-Chloro-3',4'-benzoxylidide
CID 295081
4-Chloro-3-nitrobenzanilide
CID 96073
N-(3-chloro-4-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 2852875
N-[4-(2,2-dichlorocyclopropyl)phenyl]-3-nitrobenzamide
CID 5297899

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-(4-phenylphenyl)benzamide?
The IUPAC name of 2-chloro-5-nitro-N-(4-phenylphenyl)benzamide (CID 7712569) is 2-chloro-5-nitro-N-(4-phenylphenyl)benzamide.
What is the SMILES notation for 2-chloro-5-nitro-N-(4-phenylphenyl)benzamide?
The canonical SMILES for 2-chloro-5-nitro-N-(4-phenylphenyl)benzamide is O=C(Nc1ccc(-c2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-5-nitro-N-(4-phenylphenyl)benzamide?
The InChIKey is LRWBDRVYKJKDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-18-11-10-16(22(24)25)12-17(18)19(23)21-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,21,23).
What are the key properties of 2-chloro-5-nitro-N-(4-phenylphenyl)benzamide?
2-chloro-5-nitro-N-(4-phenylphenyl)benzamide has a molecular weight of 352.78 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-(4-phenylphenyl)benzamide is sourced from PubChem (CID 7712569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).