N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-methylfuran-3-carboxamide

C26H21N3O3 — CID 67624024

IUPACN-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)cc1
InChIInChI=1S/C26H21N3O3/c1-17-21(14-15-32-17)25(30)28-20-12-10-18(11-13-20)26(31)29-23-8-4-2-6-19(23)16-27-22-7-3-5-9-24(22)29/h2-15,27H,16H2,1H3,(H,28,30)
InChIKeyLKDGRSLXRXWJSS-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.74
Rot. Bonds3

About N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-methylfuran-3-carboxamide

N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-methylfuran-3-carboxamide (PubChem CID 67624024) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-methylfuran-3-carboxamide
PubChem CID67624024
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC NameN-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)cc1
InChIInChI=1S/C26H21N3O3/c1-17-21(14-15-32-17)25(30)28-20-12-10-18(11-13-20)26(31)29-23-8-4-2-6-19(23)16-27-22-7-3-5-9-24(22)29/h2-15,27H,16H2,1H3,(H,28,30)
InChIKeyLKDGRSLXRXWJSS-UHFFFAOYSA-N
XLogP5.74
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-methylfuran-3-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-[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]-3-fluorobenzamide
CID 67623977
(2-methylfuran-3-yl)-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
CID 64852371
N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylfuran-3-carboxamide
CID 22099746
N-(4-iodophenyl)-2-methylfuran-3-carboxamide
CID 903791
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)furan-3-carboxamide;hydrochloride
CID 119581069
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-3-carboxamide
CID 114490943
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-3-carboxamide
CID 80554325
2-methyl-N-[4-(3-methyl-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide
CID 67671274
[2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid
CID 58664593
N-(3-acetylphenyl)-2-methylfuran-3-carboxamide
CID 896770

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-methylfuran-3-carboxamide (CID 67624024) is N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)cc1.
What is the InChIKey of N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is LKDGRSLXRXWJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3/c1-17-21(14-15-32-17)25(30)28-20-12-10-18(11-13-20)26(31)29-23-8-4-2-6-19(23)16-27-22-7-3-5-9-24(22)29/h2-15,27H,16H2,1H3,(H,28,30).
What are the key properties of N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-methylfuran-3-carboxamide?
N-[4-(5,6-dihydrobenzo[b][1,4]benzodiazepine-11-carbonyl)phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 5.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 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-methylfuran-3-carboxamide is sourced from PubChem (CID 67624024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).