N-(3-fluorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxamide

C16H16FN3O — CID 64851405

IUPACN-(3-fluorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCCNc2ccccc21
InChIInChI=1S/C16H16FN3O/c17-12-5-3-6-13(11-12)19-16(21)20-10-4-9-18-14-7-1-2-8-15(14)20/h1-3,5-8,11,18H,4,9-10H2,(H,19,21)
InChIKeyGFNZPSIVDZXZSC-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.68
Rot. Bonds1

About N-(3-fluorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxamide

N-(3-fluorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxamide (PubChem CID 64851405) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxamide
PubChem CID64851405
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC NameN-(3-fluorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCCNc2ccccc21
InChIInChI=1S/C16H16FN3O/c17-12-5-3-6-13(11-12)19-16(21)20-10-4-9-18-14-7-1-2-8-15(14)20/h1-3,5-8,11,18H,4,9-10H2,(H,19,21)
InChIKeyGFNZPSIVDZXZSC-UHFFFAOYSA-N
XLogP3.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide;propane
CID 170568802
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
1-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
CID 12858798
piperidin-1-yl(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
CID 79156252
7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69220426
8-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 10214790
(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1443127
(4-bromophenyl)-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
CID 115311188
2-(2,3-dihydroindol-1-yl)-N-(3-fluorophenyl)-2-oxoacetamide
CID 108531920
N-(3-fluorophenyl)-2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide
CID 79539437
(2,5-dibromothiophen-3-yl)-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
CID 107963722
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 894781

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxamide (CID 64851405) is N-(3-fluorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxamide is O=C(Nc1cccc(F)c1)N1CCCNc2ccccc21.
What is the InChIKey of N-(3-fluorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxamide?
The InChIKey is GFNZPSIVDZXZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-12-5-3-6-13(11-12)19-16(21)20-10-4-9-18-14-7-1-2-8-15(14)20/h1-3,5-8,11,18H,4,9-10H2,(H,19,21).
What are the key properties of N-(3-fluorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxamide?
N-(3-fluorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxamide has a molecular weight of 285.32 g/mol, XLogP of 3.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxamide is sourced from PubChem (CID 64851405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).