N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-3-fluorobenzamide

C27H20FN3O2 — CID 67623977

IUPACN-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)cc1)c1cccc(F)c1
InChIInChI=1S/C27H20FN3O2/c28-21-8-5-7-19(16-21)26(32)30-22-14-12-18(13-15-22)27(33)31-24-10-3-1-6-20(24)17-29-23-9-2-4-11-25(23)31/h1-16,29H,17H2,(H,30,32)
InChIKeyXBWSZXLYMUZRFO-UHFFFAOYSA-N
MW437.47 g/mol
LogP5.98
Rot. Bonds3

About N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-3-fluorobenzamide

N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-3-fluorobenzamide (PubChem CID 67623977) has the molecular formula C27H20FN3O2 and a molecular weight of 437.47 g/mol. Its IUPAC name is N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-3-fluorobenzamide
PubChem CID67623977
Molecular FormulaC27H20FN3O2
Molecular Weight437.47 g/mol
Exact Mass437.15
IUPAC NameN-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)cc1)c1cccc(F)c1
InChIInChI=1S/C27H20FN3O2/c28-21-8-5-7-19(16-21)26(32)30-22-14-12-18(13-15-22)27(33)31-24-10-3-1-6-20(24)17-29-23-9-2-4-11-25(23)31/h1-16,29H,17H2,(H,30,32)
InChIKeyXBWSZXLYMUZRFO-UHFFFAOYSA-N
XLogP5.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.47
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-fluorobenzamide
CID 67624262
2,5-dichloro-N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]benzamide
CID 67624349
N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-methylfuran-3-carboxamide
CID 67624024
N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide
CID 112986182
3-fluoro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2971545
3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 90480202
3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide
CID 112984547
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
CID 109049539
3-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 952383
N-(3-benzamidophenyl)-2,3-dihydro-1H-indole-6-carboxamide
CID 143229213
N-(4-cyanophenyl)-3-fluorobenzamide
CID 1122145
propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate
CID 2664505

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-3-fluorobenzamide?
The IUPAC name of N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-3-fluorobenzamide (CID 67623977) is N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-3-fluorobenzamide is O=C(Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)cc1)c1cccc(F)c1.
What is the InChIKey of N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-3-fluorobenzamide?
The InChIKey is XBWSZXLYMUZRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN3O2/c28-21-8-5-7-19(16-21)26(32)30-22-14-12-18(13-15-22)27(33)31-24-10-3-1-6-20(24)17-29-23-9-2-4-11-25(23)31/h1-16,29H,17H2,(H,30,32).
What are the key properties of N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-3-fluorobenzamide?
N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-3-fluorobenzamide has a molecular weight of 437.47 g/mol, XLogP of 5.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-3-fluorobenzamide is sourced from PubChem (CID 67623977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).