N,N-dimethyl-2-oxo-2-[5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]acetamide

C20H18F3N3O2 — CID 154222560

IUPACN,N-dimethyl-2-oxo-2-[5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]acetamide
SMILESCN(C)C(=O)C(=O)N1CCN=C(c2ccccc2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C20H18F3N3O2/c1-25(2)18(27)19(28)26-11-10-24-17(13-6-4-3-5-7-13)15-12-14(20(21,22)23)8-9-16(15)26/h3-9,12H,10-11H2,1-2H3
InChIKeyZKKPETJJMRUEGD-UHFFFAOYSA-N
MW389.38 g/mol
LogP2.98
Rot. Bonds1

About N,N-dimethyl-2-oxo-2-[5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]acetamide

N,N-dimethyl-2-oxo-2-[5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]acetamide (PubChem CID 154222560) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is N,N-dimethyl-2-oxo-2-[5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-oxo-2-[5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]acetamide
PubChem CID154222560
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC NameN,N-dimethyl-2-oxo-2-[5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]acetamide
SMILESCN(C)C(=O)C(=O)N1CCN=C(c2ccccc2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C20H18F3N3O2/c1-25(2)18(27)19(28)26-11-10-24-17(13-6-4-3-5-7-13)15-12-14(20(21,22)23)8-9-16(15)26/h3-9,12H,10-11H2,1-2H3
InChIKeyZKKPETJJMRUEGD-UHFFFAOYSA-N
XLogP2.98
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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5-phenyl-1-(trifluoromethyl)-2,3-dihydro-1,4-benzodiazepine
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2-(2-chloroethyl)-7-phenyl-9-(trifluoromethyl)-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine
CID 21431481
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5-phenyl-1-[3-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-2-one
CID 135033156
3-(dimethylamino)-1-[2-phenyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 175410196
2-amino-N-[7-chloro-1-[2-methyl-5-(trifluoromethyl)phenyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanylpropanamide
CID 22437768
9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 138712829
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-oxo-2-[5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-oxo-2-[5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]acetamide (CID 154222560) is N,N-dimethyl-2-oxo-2-[5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-oxo-2-[5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-oxo-2-[5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]acetamide is CN(C)C(=O)C(=O)N1CCN=C(c2ccccc2)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of N,N-dimethyl-2-oxo-2-[5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]acetamide?
The InChIKey is ZKKPETJJMRUEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-25(2)18(27)19(28)26-11-10-24-17(13-6-4-3-5-7-13)15-12-14(20(21,22)23)8-9-16(15)26/h3-9,12H,10-11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-oxo-2-[5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]acetamide?
N,N-dimethyl-2-oxo-2-[5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]acetamide has a molecular weight of 389.38 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-oxo-2-[5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]acetamide is sourced from PubChem (CID 154222560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).