2-methoxy-N-[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide

C24H18F3N3O3 — CID 11705127

IUPAC2-methoxy-N-[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
SMILESCOc1ccccc1C(=O)NC1N=C(c2ccc(C(F)(F)F)cc2)c2ccccc2NC1=O
InChIInChI=1S/C24H18F3N3O3/c1-33-19-9-5-3-7-17(19)22(31)30-21-23(32)28-18-8-4-2-6-16(18)20(29-21)14-10-12-15(13-11-14)24(25,26)27/h2-13,21H,1H3,(H,28,32)(H,30,31)
InChIKeyLZMHWKPGWLGAHG-UHFFFAOYSA-N
MW453.42 g/mol
LogP4.26
Rot. Bonds4

About 2-methoxy-N-[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide

2-methoxy-N-[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide (PubChem CID 11705127) has the molecular formula C24H18F3N3O3 and a molecular weight of 453.42 g/mol. Its IUPAC name is 2-methoxy-N-[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
PubChem CID11705127
Molecular FormulaC24H18F3N3O3
Molecular Weight453.42 g/mol
Exact Mass453.13
IUPAC Name2-methoxy-N-[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
SMILESCOc1ccccc1C(=O)NC1N=C(c2ccc(C(F)(F)F)cc2)c2ccccc2NC1=O
InChIInChI=1S/C24H18F3N3O3/c1-33-19-9-5-3-7-17(19)22(31)30-21-23(32)28-18-8-4-2-6-16(18)20(29-21)14-10-12-15(13-11-14)24(25,26)27/h2-13,21H,1H3,(H,28,32)(H,30,31)
InChIKeyLZMHWKPGWLGAHG-UHFFFAOYSA-N
XLogP4.26
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
The IUPAC name of 2-methoxy-N-[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide (CID 11705127) is 2-methoxy-N-[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide is COc1ccccc1C(=O)NC1N=C(c2ccc(C(F)(F)F)cc2)c2ccccc2NC1=O.
What is the InChIKey of 2-methoxy-N-[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
The InChIKey is LZMHWKPGWLGAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O3/c1-33-19-9-5-3-7-17(19)22(31)30-21-23(32)28-18-8-4-2-6-16(18)20(29-21)14-10-12-15(13-11-14)24(25,26)27/h2-13,21H,1H3,(H,28,32)(H,30,31).
What are the key properties of 2-methoxy-N-[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
2-methoxy-N-[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide has a molecular weight of 453.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide is sourced from PubChem (CID 11705127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).