N-(3-fluorophenyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide

C23H24FN3O3 — CID 24736382

IUPACN-(3-fluorophenyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide
SMILESO=C1CCCc2cc(C(=O)N3CCCN(C(=O)Nc4cccc(F)c4)CC3)ccc21
InChIInChI=1S/C23H24FN3O3/c24-18-5-2-6-19(15-18)25-23(30)27-11-3-10-26(12-13-27)22(29)17-8-9-20-16(14-17)4-1-7-21(20)28/h2,5-6,8-9,14-15H,1,3-4,7,10-13H2,(H,25,30)
InChIKeyKJZAUIQHJCVZIK-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.72
Rot. Bonds2

About N-(3-fluorophenyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide

N-(3-fluorophenyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide (PubChem CID 24736382) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide
PubChem CID24736382
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC NameN-(3-fluorophenyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide
SMILESO=C1CCCc2cc(C(=O)N3CCCN(C(=O)Nc4cccc(F)c4)CC3)ccc21
InChIInChI=1S/C23H24FN3O3/c24-18-5-2-6-19(15-18)25-23(30)27-11-3-10-26(12-13-27)22(29)17-8-9-20-16(14-17)4-1-7-21(20)28/h2,5-6,8-9,14-15H,1,3-4,7,10-13H2,(H,25,30)
InChIKeyKJZAUIQHJCVZIK-UHFFFAOYSA-N
XLogP3.72
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-fluorophenyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide 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

N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
N-(furan-2-ylmethyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 24736384
3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide
CID 109056732
N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051768
1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 6467171
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide
CID 71449963
N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61131305
4-[2-fluoro-4-[[4-(3-fluorobenzoyl)piperazine-1-carbonyl]amino]phenyl]piperazine-1-carboxylic acid
CID 70850398
N-tert-butyl-4-(3-fluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 110811477
4-(3-methylbenzoyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,4-diazepane-1-carboxamide
CID 55738186

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide (CID 24736382) is N-(3-fluorophenyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide is O=C1CCCc2cc(C(=O)N3CCCN(C(=O)Nc4cccc(F)c4)CC3)ccc21.
What is the InChIKey of N-(3-fluorophenyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide?
The InChIKey is KJZAUIQHJCVZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c24-18-5-2-6-19(15-18)25-23(30)27-11-3-10-26(12-13-27)22(29)17-8-9-20-16(14-17)4-1-7-21(20)28/h2,5-6,8-9,14-15H,1,3-4,7,10-13H2,(H,25,30).
What are the key properties of N-(3-fluorophenyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide?
N-(3-fluorophenyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 24736382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).