2-chloro-N-[(2-chlorophenyl)methyl]-5-nitrobenzamide

C14H10Cl2N2O3 — CID 881002

IUPAC2-chloro-N-[(2-chlorophenyl)methyl]-5-nitrobenzamide
SMILESO=C(NCc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c15-12-4-2-1-3-9(12)8-17-14(19)11-7-10(18(20)21)5-6-13(11)16/h1-7H,8H2,(H,17,19)
InChIKeyPJJXGNORWHOGDY-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.83
Rot. Bonds4

About 2-chloro-N-[(2-chlorophenyl)methyl]-5-nitrobenzamide

2-chloro-N-[(2-chlorophenyl)methyl]-5-nitrobenzamide (PubChem CID 881002) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 2-chloro-N-[(2-chlorophenyl)methyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-chlorophenyl)methyl]-5-nitrobenzamide
PubChem CID881002
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name2-chloro-N-[(2-chlorophenyl)methyl]-5-nitrobenzamide
SMILESO=C(NCc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c15-12-4-2-1-3-9(12)8-17-14(19)11-7-10(18(20)21)5-6-13(11)16/h1-7H,8H2,(H,17,19)
InChIKeyPJJXGNORWHOGDY-UHFFFAOYSA-N
XLogP3.83
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.83
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chlorophenyl)methyl]-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-[(2-chlorophenyl)methyl]-5-nitrobenzamide (CID 881002) is 2-chloro-N-[(2-chlorophenyl)methyl]-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[(2-chlorophenyl)methyl]-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[(2-chlorophenyl)methyl]-5-nitrobenzamide is O=C(NCc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-[(2-chlorophenyl)methyl]-5-nitrobenzamide?
The InChIKey is PJJXGNORWHOGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c15-12-4-2-1-3-9(12)8-17-14(19)11-7-10(18(20)21)5-6-13(11)16/h1-7H,8H2,(H,17,19).
What are the key properties of 2-chloro-N-[(2-chlorophenyl)methyl]-5-nitrobenzamide?
2-chloro-N-[(2-chlorophenyl)methyl]-5-nitrobenzamide has a molecular weight of 325.15 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chlorophenyl)methyl]-5-nitrobenzamide is sourced from PubChem (CID 881002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).