1-[(2R)-4-(4-chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone

C23H18ClFN2O — CID 40637453

IUPAC1-[(2R)-4-(4-chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C23H18ClFN2O/c1-15(28)27-22-5-3-2-4-20(22)26-21(16-6-10-18(24)11-7-16)14-23(27)17-8-12-19(25)13-9-17/h2-13,23H,14H2,1H3/t23-/m1/s1
InChIKeyTXVWDLPHQJOTJB-HSZRJFAPSA-N
MW392.86 g/mol
LogP6.10
Rot. Bonds2

About 1-[(2R)-4-(4-chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone

1-[(2R)-4-(4-chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone (PubChem CID 40637453) has the molecular formula C23H18ClFN2O and a molecular weight of 392.86 g/mol. Its IUPAC name is 1-[(2R)-4-(4-chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-4-(4-chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone
PubChem CID40637453
Molecular FormulaC23H18ClFN2O
Molecular Weight392.86 g/mol
Exact Mass392.11
IUPAC Name1-[(2R)-4-(4-chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C23H18ClFN2O/c1-15(28)27-22-5-3-2-4-20(22)26-21(16-6-10-18(24)11-7-16)14-23(27)17-8-12-19(25)13-9-17/h2-13,23H,14H2,1H3/t23-/m1/s1
InChIKeyTXVWDLPHQJOTJB-HSZRJFAPSA-N
XLogP6.10
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.86
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2R)-4-(4-chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone with MolForge

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Related Compounds

1-[(2S)-2-(4-fluorophenyl)-4-(4-iodophenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone
CID 1279581
1-[4-(4-chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone
CID 2967936
2-[4-(1-acetyl-2-phenyl-2,3-dihydro-1,5-benzodiazepin-4-yl)phenoxy]acetic acid
CID 2728690
1-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 14741508
[2-(1-acetyl-2-phenyl-2,3-dihydro-1,5-benzodiazepin-4-yl)phenyl] acetate
CID 101489179
[(2R)-2,4-diphenyl-2,3-dihydro-1,5-benzodiazepin-1-yl]-phenylmethanone
CID 7103038
1-[(3R)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone
CID 93226641
N-[(4-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 46342433
(3R)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-2-carbothioamide
CID 139085278
N-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 46342411
[4-[2-acetyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenyl] acetate
CID 163544555
1-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 42844499

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-(4-chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-4-(4-chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone (CID 40637453) is 1-[(2R)-4-(4-chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-4-(4-chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-4-(4-chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone is CC(=O)N1c2ccccc2N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of 1-[(2R)-4-(4-chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone?
The InChIKey is TXVWDLPHQJOTJB-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H18ClFN2O/c1-15(28)27-22-5-3-2-4-20(22)26-21(16-6-10-18(24)11-7-16)14-23(27)17-8-12-19(25)13-9-17/h2-13,23H,14H2,1H3/t23-/m1/s1.
What are the key properties of 1-[(2R)-4-(4-chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone?
1-[(2R)-4-(4-chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone has a molecular weight of 392.86 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-(4-chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzodiazepin-1-yl]ethanone is sourced from PubChem (CID 40637453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).