N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-fluorobenzamide

C27H20FN3O2 — CID 67624262

IUPACN-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)cc1)c1ccccc1F
InChIInChI=1S/C27H20FN3O2/c28-22-9-3-2-8-21(22)26(32)30-20-15-13-18(14-16-20)27(33)31-24-11-5-1-7-19(24)17-29-23-10-4-6-12-25(23)31/h1-16,29H,17H2,(H,30,32)
InChIKeyUEYLLAJGLJEISF-UHFFFAOYSA-N
MW437.47 g/mol
LogP5.98
Rot. Bonds3

About N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-fluorobenzamide

N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-fluorobenzamide (PubChem CID 67624262) 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]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-fluorobenzamide
PubChem CID67624262
Molecular FormulaC27H20FN3O2
Molecular Weight437.47 g/mol
Exact Mass437.15
IUPAC NameN-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)cc1)c1ccccc1F
InChIInChI=1S/C27H20FN3O2/c28-22-9-3-2-8-21(22)26(32)30-20-15-13-18(14-16-20)27(33)31-24-11-5-1-7-19(24)17-29-23-10-4-6-12-25(23)31/h1-16,29H,17H2,(H,30,32)
InChIKeyUEYLLAJGLJEISF-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

Analyze N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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]-3-fluorobenzamide
CID 67623977
N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-methylfuran-3-carboxamide
CID 67624024
N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-fluorobenzamide
CID 19608024
2-fluoro-N-[4-(spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-carbonyl)phenyl]benzamide
CID 23598556
2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 577368
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-fluorobenzamide
CID 27557625
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
CID 109049539
2-[[4-[(2-fluorobenzoyl)amino]benzoyl]amino]acetic acid
CID 45435138
2-fluoro-N-[4-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1287432
2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17273892
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide
CID 22777398

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-fluorobenzamide (CID 67624262) is N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-fluorobenzamide is O=C(Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)cc1)c1ccccc1F.
What is the InChIKey of N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-fluorobenzamide?
The InChIKey is UEYLLAJGLJEISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN3O2/c28-22-9-3-2-8-21(22)26(32)30-20-15-13-18(14-16-20)27(33)31-24-11-5-1-7-19(24)17-29-23-10-4-6-12-25(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]-2-fluorobenzamide?
N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-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]-2-fluorobenzamide is sourced from PubChem (CID 67624262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).