N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide

C19H13ClN2O3 — CID 5222418

IUPACN-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H13ClN2O3/c20-17-11-10-16(22(24)25)12-18(17)21-19(23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,21,23)
InChIKeyIDKMCXUKGAHDPH-UHFFFAOYSA-N
MW352.78 g/mol
LogP5.17
Rot. Bonds4

About N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide

N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide (PubChem CID 5222418) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
PubChem CID5222418
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC NameN-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H13ClN2O3/c20-17-11-10-16(22(24)25)12-18(17)21-19(23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,21,23)
InChIKeyIDKMCXUKGAHDPH-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

4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
N-(2-chloro-5-nitrophenyl)-2-(4-phenylphenyl)acetamide
CID 92556751
[2-(2-chloro-5-nitroanilino)-2-oxoethyl] 4-phenylbenzoate
CID 42963225
N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
CID 17102145
3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 43708411
N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide
CID 867680
N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide
CID 4620848
N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide
CID 62908932
4-chloro-3-[(4-phenylbenzoyl)amino]benzenesulfonic acid
CID 139946841
N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 17359174
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide
CID 3582375
N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide
CID 47064408

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide (CID 5222418) is N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide is O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide?
The InChIKey is IDKMCXUKGAHDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-17-11-10-16(22(24)25)12-18(17)21-19(23)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 N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide?
N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide 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 N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide is sourced from PubChem (CID 5222418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).