3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(9H-fluoren-2-yl)propanamide

C25H21N3O3 — CID 51697219

IUPAC3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(9H-fluoren-2-yl)propanamide
SMILESO=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C25H21N3O3/c29-23(12-11-22-25(31)27-21-8-4-3-7-20(21)24(30)28-22)26-17-9-10-19-16(14-17)13-15-5-1-2-6-18(15)19/h1-10,14,22H,11-13H2,(H,26,29)(H,27,31)(H,28,30)/t22-/m0/s1
InChIKeyRENYJGXWGOWVFI-QFIPXVFZSA-N
MW411.46 g/mol
LogP3.73
Rot. Bonds4

About 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(9H-fluoren-2-yl)propanamide

3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(9H-fluoren-2-yl)propanamide (PubChem CID 51697219) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(9H-fluoren-2-yl)propanamide.

Molecular Properties

Compound Name3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(9H-fluoren-2-yl)propanamide
PubChem CID51697219
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(9H-fluoren-2-yl)propanamide
SMILESO=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C25H21N3O3/c29-23(12-11-22-25(31)27-21-8-4-3-7-20(21)24(30)28-22)26-17-9-10-19-16(14-17)13-15-5-1-2-6-18(15)19/h1-10,14,22H,11-13H2,(H,26,29)(H,27,31)(H,28,30)/t22-/m0/s1
InChIKeyRENYJGXWGOWVFI-QFIPXVFZSA-N
XLogP3.73
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(9H-fluoren-2-yl)propanamide?
The IUPAC name of 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(9H-fluoren-2-yl)propanamide (CID 51697219) is 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(9H-fluoren-2-yl)propanamide.
What is the SMILES notation for 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(9H-fluoren-2-yl)propanamide?
The canonical SMILES for 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(9H-fluoren-2-yl)propanamide is O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(9H-fluoren-2-yl)propanamide?
The InChIKey is RENYJGXWGOWVFI-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H21N3O3/c29-23(12-11-22-25(31)27-21-8-4-3-7-20(21)24(30)28-22)26-17-9-10-19-16(14-17)13-15-5-1-2-6-18(15)19/h1-10,14,22H,11-13H2,(H,26,29)(H,27,31)(H,28,30)/t22-/m0/s1.
What are the key properties of 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(9H-fluoren-2-yl)propanamide?
3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(9H-fluoren-2-yl)propanamide has a molecular weight of 411.46 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(9H-fluoren-2-yl)propanamide is sourced from PubChem (CID 51697219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).