7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide

C16H11Cl2N3O2 — CID 13386708

IUPAC7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide
SMILESNC(=O)C1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O
InChIInChI=1S/C16H11Cl2N3O2/c17-8-5-6-12-10(7-8)13(9-3-1-2-4-11(9)18)21-14(15(19)22)16(23)20-12/h1-7,14H,(H2,19,22)(H,20,23)
InChIKeyHBHDPLQRSMMSNI-UHFFFAOYSA-N
MW348.19 g/mol
LogP2.64
Rot. Bonds2

About 7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide

7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide (PubChem CID 13386708) has the molecular formula C16H11Cl2N3O2 and a molecular weight of 348.19 g/mol. Its IUPAC name is 7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide.

Molecular Properties

Compound Name7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide
PubChem CID13386708
Molecular FormulaC16H11Cl2N3O2
Molecular Weight348.19 g/mol
Exact Mass347.02
IUPAC Name7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide
SMILESNC(=O)C1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O
InChIInChI=1S/C16H11Cl2N3O2/c17-8-5-6-12-10(7-8)13(9-3-1-2-4-11(9)18)21-14(15(19)22)16(23)20-12/h1-7,14H,(H2,19,22)(H,20,23)
InChIKeyHBHDPLQRSMMSNI-UHFFFAOYSA-N
XLogP2.64
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide?
The IUPAC name of 7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide (CID 13386708) is 7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide.
What is the SMILES notation for 7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide?
The canonical SMILES for 7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide is NC(=O)C1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O.
What is the InChIKey of 7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide?
The InChIKey is HBHDPLQRSMMSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2/c17-8-5-6-12-10(7-8)13(9-3-1-2-4-11(9)18)21-14(15(19)22)16(23)20-12/h1-7,14H,(H2,19,22)(H,20,23).
What are the key properties of 7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide?
7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide has a molecular weight of 348.19 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxamide is sourced from PubChem (CID 13386708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).