2-[[(2-aminobenzoyl)-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide

C24H21F2N3O2 — CID 118935206

IUPAC2-[[(2-aminobenzoyl)-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide
SMILESNC(=O)c1ccccc1CN(C(=O)c1ccccc1N)[C@@H]1CCc2c(F)cc(F)cc21
InChIInChI=1S/C24H21F2N3O2/c25-15-11-19-17(20(26)12-15)9-10-22(19)29(24(31)18-7-3-4-8-21(18)27)13-14-5-1-2-6-16(14)23(28)30/h1-8,11-12,22H,9-10,13,27H2,(H2,28,30)/t22-/m1/s1
InChIKeyLZHMKLFRVLAIJH-JOCHJYFZSA-N
MW421.45 g/mol
LogP3.98
Rot. Bonds5

About 2-[[(2-aminobenzoyl)-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide

2-[[(2-aminobenzoyl)-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide (PubChem CID 118935206) has the molecular formula C24H21F2N3O2 and a molecular weight of 421.45 g/mol. Its IUPAC name is 2-[[(2-aminobenzoyl)-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide.

Molecular Properties

Compound Name2-[[(2-aminobenzoyl)-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide
PubChem CID118935206
Molecular FormulaC24H21F2N3O2
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name2-[[(2-aminobenzoyl)-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide
SMILESNC(=O)c1ccccc1CN(C(=O)c1ccccc1N)[C@@H]1CCc2c(F)cc(F)cc21
InChIInChI=1S/C24H21F2N3O2/c25-15-11-19-17(20(26)12-15)9-10-22(19)29(24(31)18-7-3-4-8-21(18)27)13-14-5-1-2-6-16(14)23(28)30/h1-8,11-12,22H,9-10,13,27H2,(H2,28,30)/t22-/m1/s1
InChIKeyLZHMKLFRVLAIJH-JOCHJYFZSA-N
XLogP3.98
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]-2-methylbenzamide
CID 168283392
N,N-diethyl-2-{[(2-methylphenyl)carbonyl]amino}benzamide
CID 737730
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide
CID 87055207
2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]benzamide
CID 118246845
Smo-IN-3
CID 152520884
2-amino-N,N-dibenzylbenzamide
CID 899812
N-benzyl-2-{[(4-fluorophenyl)acetyl]amino}benzamide
CID 16476528
N-benzyl-2-[(4-fluorobenzoyl)(methyl)amino]benzamide
CID 2989345
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135901558
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135901559
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[(4-fluorobenzoyl)amino]benzamide
CID 168290432
N-{2-[(diallylamino)carbonyl]phenyl}-2-methylbenzamide
CID 761936

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-aminobenzoyl)-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide?
The IUPAC name of 2-[[(2-aminobenzoyl)-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide (CID 118935206) is 2-[[(2-aminobenzoyl)-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide.
What is the SMILES notation for 2-[[(2-aminobenzoyl)-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide?
The canonical SMILES for 2-[[(2-aminobenzoyl)-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide is NC(=O)c1ccccc1CN(C(=O)c1ccccc1N)[C@@H]1CCc2c(F)cc(F)cc21.
What is the InChIKey of 2-[[(2-aminobenzoyl)-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide?
The InChIKey is LZHMKLFRVLAIJH-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H21F2N3O2/c25-15-11-19-17(20(26)12-15)9-10-22(19)29(24(31)18-7-3-4-8-21(18)27)13-14-5-1-2-6-16(14)23(28)30/h1-8,11-12,22H,9-10,13,27H2,(H2,28,30)/t22-/m1/s1.
What are the key properties of 2-[[(2-aminobenzoyl)-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide?
2-[[(2-aminobenzoyl)-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide has a molecular weight of 421.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-aminobenzoyl)-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzamide is sourced from PubChem (CID 118935206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).