2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(furan-2-ylmethyl)acetamide

C22H17Cl2N3O3 — CID 3242322

IUPAC2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)CN=C(c2ccccc2Cl)c2cc(Cl)ccc21)NCc1ccco1
InChIInChI=1S/C22H17Cl2N3O3/c23-14-7-8-19-17(10-14)22(16-5-1-2-6-18(16)24)26-12-21(29)27(19)13-20(28)25-11-15-4-3-9-30-15/h1-10H,11-13H2,(H,25,28)
InChIKeyNRQVVVSFGCSTQQ-UHFFFAOYSA-N
MW442.30 g/mol
LogP4.09
Rot. Bonds5

About 2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 3242322) has the molecular formula C22H17Cl2N3O3 and a molecular weight of 442.30 g/mol. Its IUPAC name is 2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID3242322
Molecular FormulaC22H17Cl2N3O3
Molecular Weight442.30 g/mol
Exact Mass441.06
IUPAC Name2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)CN=C(c2ccccc2Cl)c2cc(Cl)ccc21)NCc1ccco1
InChIInChI=1S/C22H17Cl2N3O3/c23-14-7-8-19-17(10-14)22(16-5-1-2-6-18(16)24)26-12-21(29)27(19)13-20(28)25-11-15-4-3-9-30-15/h1-10H,11-13H2,(H,25,28)
InChIKeyNRQVVVSFGCSTQQ-UHFFFAOYSA-N
XLogP4.09
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 3242322) is 2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(furan-2-ylmethyl)acetamide is O=C(CN1C(=O)CN=C(c2ccccc2Cl)c2cc(Cl)ccc21)NCc1ccco1.
What is the InChIKey of 2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is NRQVVVSFGCSTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O3/c23-14-7-8-19-17(10-14)22(16-5-1-2-6-18(16)24)26-12-21(29)27(19)13-20(28)25-11-15-4-3-9-30-15/h1-10H,11-13H2,(H,25,28).
What are the key properties of 2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 442.30 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3242322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).