N-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide

C23H17ClFN3O2 — CID 46342411

IUPACN-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
SMILESO=C(CN1C(=O)CC(c2ccc(F)cc2)=Nc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H17ClFN3O2/c24-16-7-11-18(12-8-16)26-22(29)14-28-21-4-2-1-3-19(21)27-20(13-23(28)30)15-5-9-17(25)10-6-15/h1-12H,13-14H2,(H,26,29)
InChIKeyCINUPLDNLNVRGX-UHFFFAOYSA-N
MW421.86 g/mol
LogP4.98
Rot. Bonds4

About N-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide

N-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide (PubChem CID 46342411) has the molecular formula C23H17ClFN3O2 and a molecular weight of 421.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
PubChem CID46342411
Molecular FormulaC23H17ClFN3O2
Molecular Weight421.86 g/mol
Exact Mass421.10
IUPAC NameN-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
SMILESO=C(CN1C(=O)CC(c2ccc(F)cc2)=Nc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H17ClFN3O2/c24-16-7-11-18(12-8-16)26-22(29)14-28-21-4-2-1-3-19(21)27-20(13-23(28)30)15-5-9-17(25)10-6-15/h1-12H,13-14H2,(H,26,29)
InChIKeyCINUPLDNLNVRGX-UHFFFAOYSA-N
XLogP4.98
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 46342433
N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 46342418
2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 46342407
N-(5-chloro-2-methylphenyl)-2-[4-(4-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 20952913
N-benzyl-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 46342431
N-(2,4-difluorophenyl)-2-[4-(4-methylphenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 53034434
N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 46342400
N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53035738
2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 46342432
2-[4-(2-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 53002855
N-(4-bromo-3-methylphenyl)-2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetamide
CID 20952863
2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53028982

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide (CID 46342411) is N-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide is O=C(CN1C(=O)CC(c2ccc(F)cc2)=Nc2ccccc21)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide?
The InChIKey is CINUPLDNLNVRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O2/c24-16-7-11-18(12-8-16)26-22(29)14-28-21-4-2-1-3-19(21)27-20(13-23(28)30)15-5-9-17(25)10-6-15/h1-12H,13-14H2,(H,26,29).
What are the key properties of N-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide?
N-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide has a molecular weight of 421.86 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide is sourced from PubChem (CID 46342411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).