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

C22H16ClFN2O2 — CID 4084010

IUPAC7-chloro-4-(2-fluorobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESO=C1CN(C(=O)c2ccccc2F)C(c2ccccc2)c2cc(Cl)ccc2N1
InChIInChI=1S/C22H16ClFN2O2/c23-15-10-11-19-17(12-15)21(14-6-2-1-3-7-14)26(13-20(27)25-19)22(28)16-8-4-5-9-18(16)24/h1-12,21H,13H2,(H,25,27)
InChIKeyJVDNHGVLKRELPZ-UHFFFAOYSA-N
MW394.83 g/mol
LogP4.66
Rot. Bonds2

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

7-chloro-4-(2-fluorobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 4084010) has the molecular formula C22H16ClFN2O2 and a molecular weight of 394.83 g/mol. Its IUPAC name is 7-chloro-4-(2-fluorobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-chloro-4-(2-fluorobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID4084010
Molecular FormulaC22H16ClFN2O2
Molecular Weight394.83 g/mol
Exact Mass394.09
IUPAC Name7-chloro-4-(2-fluorobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESO=C1CN(C(=O)c2ccccc2F)C(c2ccccc2)c2cc(Cl)ccc2N1
InChIInChI=1S/C22H16ClFN2O2/c23-15-10-11-19-17(12-15)21(14-6-2-1-3-7-14)26(13-20(27)25-19)22(28)16-8-4-5-9-18(16)24/h1-12,21H,13H2,(H,25,27)
InChIKeyJVDNHGVLKRELPZ-UHFFFAOYSA-N
XLogP4.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.83
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(2-fluorobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 7-chloro-4-(2-fluorobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 4084010) is 7-chloro-4-(2-fluorobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-chloro-4-(2-fluorobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-chloro-4-(2-fluorobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is O=C1CN(C(=O)c2ccccc2F)C(c2ccccc2)c2cc(Cl)ccc2N1.
What is the InChIKey of 7-chloro-4-(2-fluorobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is JVDNHGVLKRELPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O2/c23-15-10-11-19-17(12-15)21(14-6-2-1-3-7-14)26(13-20(27)25-19)22(28)16-8-4-5-9-18(16)24/h1-12,21H,13H2,(H,25,27).
What are the key properties of 7-chloro-4-(2-fluorobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
7-chloro-4-(2-fluorobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 394.83 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(2-fluorobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 4084010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).