2-chloro-N-ethyl-4-nitro-N-phenylbenzamide

C15H13ClN2O3 — CID 603524

IUPAC2-chloro-N-ethyl-4-nitro-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1
InChIInChI=1S/C15H13ClN2O3/c1-2-17(11-6-4-3-5-7-11)15(19)13-9-8-12(18(20)21)10-14(13)16/h3-10H,2H2,1H3
InChIKeyIQRZYQIILDQKBF-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.91
Rot. Bonds4

About 2-chloro-N-ethyl-4-nitro-N-phenylbenzamide

2-chloro-N-ethyl-4-nitro-N-phenylbenzamide (PubChem CID 603524) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-chloro-N-ethyl-4-nitro-N-phenylbenzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-4-nitro-N-phenylbenzamide
PubChem CID603524
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name2-chloro-N-ethyl-4-nitro-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1
InChIInChI=1S/C15H13ClN2O3/c1-2-17(11-6-4-3-5-7-11)15(19)13-9-8-12(18(20)21)10-14(13)16/h3-10H,2H2,1H3
InChIKeyIQRZYQIILDQKBF-UHFFFAOYSA-N
XLogP3.91
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.91
H-Bond Donors ≤ 50
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-ethyl-4-nitro-N-phenylbenzamide?
The IUPAC name of 2-chloro-N-ethyl-4-nitro-N-phenylbenzamide (CID 603524) is 2-chloro-N-ethyl-4-nitro-N-phenylbenzamide.
What is the SMILES notation for 2-chloro-N-ethyl-4-nitro-N-phenylbenzamide?
The canonical SMILES for 2-chloro-N-ethyl-4-nitro-N-phenylbenzamide is CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-ethyl-4-nitro-N-phenylbenzamide?
The InChIKey is IQRZYQIILDQKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-2-17(11-6-4-3-5-7-11)15(19)13-9-8-12(18(20)21)10-14(13)16/h3-10H,2H2,1H3.
What are the key properties of 2-chloro-N-ethyl-4-nitro-N-phenylbenzamide?
2-chloro-N-ethyl-4-nitro-N-phenylbenzamide has a molecular weight of 304.73 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-4-nitro-N-phenylbenzamide is sourced from PubChem (CID 603524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).