N-(5-chloro-2-methoxyphenyl)-2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide

C24H19Cl2N3O3 — CID 15990749

IUPACN-(5-chloro-2-methoxyphenyl)-2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C24H19Cl2N3O3/c1-32-21-10-8-17(26)12-19(21)28-22(30)14-29-20-9-7-16(25)11-18(20)24(27-13-23(29)31)15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,28,30)
InChIKeyLMGWEKISTCAXQK-UHFFFAOYSA-N
MW468.34 g/mol
LogP4.82
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide (PubChem CID 15990749) has the molecular formula C24H19Cl2N3O3 and a molecular weight of 468.34 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
PubChem CID15990749
Molecular FormulaC24H19Cl2N3O3
Molecular Weight468.34 g/mol
Exact Mass467.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C24H19Cl2N3O3/c1-32-21-10-8-17(26)12-19(21)28-22(30)14-29-20-9-7-16(25)11-18(20)24(27-13-23(29)31)15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,28,30)
InChIKeyLMGWEKISTCAXQK-UHFFFAOYSA-N
XLogP4.82
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.34
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide (CID 15990749) is N-(5-chloro-2-methoxyphenyl)-2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide is COc1ccc(Cl)cc1NC(=O)CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The InChIKey is LMGWEKISTCAXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O3/c1-32-21-10-8-17(26)12-19(21)28-22(30)14-29-20-9-7-16(25)11-18(20)24(27-13-23(29)31)15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,28,30).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide has a molecular weight of 468.34 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide is sourced from PubChem (CID 15990749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).