7-cyclopropyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

C18H15FN2O — CID 170330084

IUPAC7-cyclopropyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2F)c2cc(C3CC3)ccc2N1
InChIInChI=1S/C18H15FN2O/c19-15-4-2-1-3-13(15)18-14-9-12(11-5-6-11)7-8-16(14)21-17(22)10-20-18/h1-4,7-9,11H,5-6,10H2,(H,21,22)
InChIKeyPHFIJDACVDSBMS-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.49
Rot. Bonds2

About 7-cyclopropyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

7-cyclopropyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 170330084) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 7-cyclopropyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-cyclopropyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID170330084
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name7-cyclopropyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2F)c2cc(C3CC3)ccc2N1
InChIInChI=1S/C18H15FN2O/c19-15-4-2-1-3-13(15)18-14-9-12(11-5-6-11)7-8-16(14)21-17(22)10-20-18/h1-4,7-9,11H,5-6,10H2,(H,21,22)
InChIKeyPHFIJDACVDSBMS-UHFFFAOYSA-N
XLogP3.49
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 67474800
7-acetyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 23275854
6-chloro-5-(2-fluorophenyl)-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 162346313
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;methylcyclopropane
CID 169181138
7-methyl-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 59966583
2-[7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-ylidene]acetic acid
CID 70572292
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride
CID 163994713
9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 138736880
7-fluoro-5-(4-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 161006111
5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one
CID 118155746
5-[(1R,2R)-2-(2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)cyclobutyl]-1,3-dihydro-1,4-benzodiazepin-2-one
CID 137184527
5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
CID 87845370

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-cyclopropyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 170330084) is 7-cyclopropyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-cyclopropyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-cyclopropyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1CN=C(c2ccccc2F)c2cc(C3CC3)ccc2N1.
What is the InChIKey of 7-cyclopropyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is PHFIJDACVDSBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c19-15-4-2-1-3-13(15)18-14-9-12(11-5-6-11)7-8-16(14)21-17(22)10-20-18/h1-4,7-9,11H,5-6,10H2,(H,21,22).
What are the key properties of 7-cyclopropyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
7-cyclopropyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 294.33 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 170330084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).