7-acetyl-5-(2-fluorophenyl)-3,3-dimethyl-1H-1,4-benzodiazepin-2-one

C19H17FN2O2 — CID 20542087

IUPAC7-acetyl-5-(2-fluorophenyl)-3,3-dimethyl-1H-1,4-benzodiazepin-2-one
SMILESCC(=O)c1ccc2c(c1)C(c1ccccc1F)=NC(C)(C)C(=O)N2
InChIInChI=1S/C19H17FN2O2/c1-11(23)12-8-9-16-14(10-12)17(13-6-4-5-7-15(13)20)22-19(2,3)18(24)21-16/h4-10H,1-3H3,(H,21,24)
InChIKeyRYHCKPJOHJBHKN-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.60
Rot. Bonds2

About 7-acetyl-5-(2-fluorophenyl)-3,3-dimethyl-1H-1,4-benzodiazepin-2-one

7-acetyl-5-(2-fluorophenyl)-3,3-dimethyl-1H-1,4-benzodiazepin-2-one (PubChem CID 20542087) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 7-acetyl-5-(2-fluorophenyl)-3,3-dimethyl-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-acetyl-5-(2-fluorophenyl)-3,3-dimethyl-1H-1,4-benzodiazepin-2-one
PubChem CID20542087
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name7-acetyl-5-(2-fluorophenyl)-3,3-dimethyl-1H-1,4-benzodiazepin-2-one
SMILESCC(=O)c1ccc2c(c1)C(c1ccccc1F)=NC(C)(C)C(=O)N2
InChIInChI=1S/C19H17FN2O2/c1-11(23)12-8-9-16-14(10-12)17(13-6-4-5-7-15(13)20)22-19(2,3)18(24)21-16/h4-10H,1-3H3,(H,21,24)
InChIKeyRYHCKPJOHJBHKN-UHFFFAOYSA-N
XLogP3.60
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 13086
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CID 10408752
2-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-yl)-ethyl]-benzamide
CID 11795327
3-(4-Acetylanilino)indol-2-one
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N-(4-acetylphenyl)-2-fluorobenzamide
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4-Dimethylamino-N-[5-(2-fluoro-phenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-benzamide
CID 14208255
n-(2,4-Dimethylphenyl)-2-[3-(4-fluorophenyl)-2-oxo-1,4-diazaspiro[4.6]undec-3-en-1-yl]acetamide
CID 16012354
Benzanilide, 4-amino-2'-ethyl-6'-isopropyl-
CID 57161
N-(4-acetylphenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
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N-(4-acetylphenyl)-2-(2-oxo-4-phenylquinazolin-1(2H)-yl)acetamide
CID 16028504
N-(4-benzoylphenyl)pentanamide
CID 1731868
N-[4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenyl]prop-2-enamide
CID 141735987

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-5-(2-fluorophenyl)-3,3-dimethyl-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 7-acetyl-5-(2-fluorophenyl)-3,3-dimethyl-1H-1,4-benzodiazepin-2-one (CID 20542087) is 7-acetyl-5-(2-fluorophenyl)-3,3-dimethyl-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-acetyl-5-(2-fluorophenyl)-3,3-dimethyl-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-acetyl-5-(2-fluorophenyl)-3,3-dimethyl-1H-1,4-benzodiazepin-2-one is CC(=O)c1ccc2c(c1)C(c1ccccc1F)=NC(C)(C)C(=O)N2.
What is the InChIKey of 7-acetyl-5-(2-fluorophenyl)-3,3-dimethyl-1H-1,4-benzodiazepin-2-one?
The InChIKey is RYHCKPJOHJBHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-11(23)12-8-9-16-14(10-12)17(13-6-4-5-7-15(13)20)22-19(2,3)18(24)21-16/h4-10H,1-3H3,(H,21,24).
What are the key properties of 7-acetyl-5-(2-fluorophenyl)-3,3-dimethyl-1H-1,4-benzodiazepin-2-one?
7-acetyl-5-(2-fluorophenyl)-3,3-dimethyl-1H-1,4-benzodiazepin-2-one has a molecular weight of 324.36 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-5-(2-fluorophenyl)-3,3-dimethyl-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 20542087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).