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

C19H17FN2O2 — CID 20542077

IUPAC7-acetyl-1-ethyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
SMILESCCN1C(=O)CN=C(c2ccccc2F)c2cc(C(C)=O)ccc21
InChIInChI=1S/C19H17FN2O2/c1-3-22-17-9-8-13(12(2)23)10-15(17)19(21-11-18(22)24)14-6-4-5-7-16(14)20/h4-10H,3,11H2,1-2H3
InChIKeySNRTUGPOMGJTGB-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.23
Rot. Bonds3

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

7-acetyl-1-ethyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one (PubChem CID 20542077) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 7-acetyl-1-ethyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-acetyl-1-ethyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
PubChem CID20542077
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name7-acetyl-1-ethyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
SMILESCCN1C(=O)CN=C(c2ccccc2F)c2cc(C(C)=O)ccc21
InChIInChI=1S/C19H17FN2O2/c1-3-22-17-9-8-13(12(2)23)10-15(17)19(21-11-18(22)24)14-6-4-5-7-16(14)20/h4-10H,3,11H2,1-2H3
InChIKeySNRTUGPOMGJTGB-UHFFFAOYSA-N
XLogP3.23
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 1108855
4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-yl)-ethyl]-benzamide
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
Krm-II-08
CID 89276170
1-[4-(4-Benzoyl-piperazin-1-yl)-3-fluoro-phenyl]-butan-1-one
CID 613152
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-5-(2-fluorophenyl)-7-methyl-1-(1-methyl-4-piperidinyl)-
CID 13450660
ST037842
CID 609748
1-[4-(4-Benzoylpiperazin-1-yl)phenyl]ethanone
CID 1245188
4-Dimethylamino-N-[5-(2-fluoro-phenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-benzamide
CID 14208255
N-[(3S)-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-4-pentylbenzamide
CID 14208273
n-(2,4-Dimethylphenyl)-2-[3-(4-fluorophenyl)-2-oxo-1,4-diazaspiro[4.6]undec-3-en-1-yl]acetamide
CID 16012354
ST051107
CID 1038481

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-1-ethyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 7-acetyl-1-ethyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one (CID 20542077) is 7-acetyl-1-ethyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-acetyl-1-ethyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-acetyl-1-ethyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one is CCN1C(=O)CN=C(c2ccccc2F)c2cc(C(C)=O)ccc21.
What is the InChIKey of 7-acetyl-1-ethyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one?
The InChIKey is SNRTUGPOMGJTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-3-22-17-9-8-13(12(2)23)10-15(17)19(21-11-18(22)24)14-6-4-5-7-16(14)20/h4-10H,3,11H2,1-2H3.
What are the key properties of 7-acetyl-1-ethyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one?
7-acetyl-1-ethyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one has a molecular weight of 324.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-1-ethyl-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 20542077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).