7-chloro-4-(2-ethoxybenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C24H21ClN2O3 — CID 3597767

IUPAC7-chloro-4-(2-ethoxybenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCCOc1ccccc1C(=O)N1CC(=O)Nc2ccc(Cl)cc2C1c1ccccc1
InChIInChI=1S/C24H21ClN2O3/c1-2-30-21-11-7-6-10-18(21)24(29)27-15-22(28)26-20-13-12-17(25)14-19(20)23(27)16-8-4-3-5-9-16/h3-14,23H,2,15H2,1H3,(H,26,28)
InChIKeyBGACSVQPJJYUMN-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.92
Rot. Bonds4

About 7-chloro-4-(2-ethoxybenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

7-chloro-4-(2-ethoxybenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 3597767) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is 7-chloro-4-(2-ethoxybenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-chloro-4-(2-ethoxybenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID3597767
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC Name7-chloro-4-(2-ethoxybenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCCOc1ccccc1C(=O)N1CC(=O)Nc2ccc(Cl)cc2C1c1ccccc1
InChIInChI=1S/C24H21ClN2O3/c1-2-30-21-11-7-6-10-18(21)24(29)27-15-22(28)26-20-13-12-17(25)14-19(20)23(27)16-8-4-3-5-9-16/h3-14,23H,2,15H2,1H3,(H,26,28)
InChIKeyBGACSVQPJJYUMN-UHFFFAOYSA-N
XLogP4.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(2-ethoxybenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 7-chloro-4-(2-ethoxybenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 3597767) is 7-chloro-4-(2-ethoxybenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-chloro-4-(2-ethoxybenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-chloro-4-(2-ethoxybenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is CCOc1ccccc1C(=O)N1CC(=O)Nc2ccc(Cl)cc2C1c1ccccc1.
What is the InChIKey of 7-chloro-4-(2-ethoxybenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is BGACSVQPJJYUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c1-2-30-21-11-7-6-10-18(21)24(29)27-15-22(28)26-20-13-12-17(25)14-19(20)23(27)16-8-4-3-5-9-16/h3-14,23H,2,15H2,1H3,(H,26,28).
What are the key properties of 7-chloro-4-(2-ethoxybenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
7-chloro-4-(2-ethoxybenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 420.90 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(2-ethoxybenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 3597767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).