2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide

C24H21F2N3O2 — CID 118935203

IUPAC2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNC(=O)C(c1ccccc1)N(C(=O)c1ccccc1N)[C@@H]1CCc2c(F)cc(F)cc21
InChIInChI=1S/C24H21F2N3O2/c25-15-12-18-16(19(26)13-15)10-11-21(18)29(24(31)17-8-4-5-9-20(17)27)22(23(28)30)14-6-2-1-3-7-14/h1-9,12-13,21-22H,10-11,27H2,(H2,28,30)/t21-,22?/m1/s1
InChIKeyBDDBMLQMAFVPJT-ZMFCMNQTSA-N
MW421.45 g/mol
LogP3.90
Rot. Bonds5

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

2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 118935203) has the molecular formula C24H21F2N3O2 and a molecular weight of 421.45 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID118935203
Molecular FormulaC24H21F2N3O2
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESNC(=O)C(c1ccccc1)N(C(=O)c1ccccc1N)[C@@H]1CCc2c(F)cc(F)cc21
InChIInChI=1S/C24H21F2N3O2/c25-15-12-18-16(19(26)13-15)10-11-21(18)29(24(31)17-8-4-5-9-20(17)27)22(23(28)30)14-6-2-1-3-7-14/h1-9,12-13,21-22H,10-11,27H2,(H2,28,30)/t21-,22?/m1/s1
InChIKeyBDDBMLQMAFVPJT-ZMFCMNQTSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide (CID 118935203) is 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide is NC(=O)C(c1ccccc1)N(C(=O)c1ccccc1N)[C@@H]1CCc2c(F)cc(F)cc21.
What is the InChIKey of 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is BDDBMLQMAFVPJT-ZMFCMNQTSA-N. The full InChI is InChI=1S/C24H21F2N3O2/c25-15-12-18-16(19(26)13-15)10-11-21(18)29(24(31)17-8-4-5-9-20(17)27)22(23(28)30)14-6-2-1-3-7-14/h1-9,12-13,21-22H,10-11,27H2,(H2,28,30)/t21-,22?/m1/s1.
What are the key properties of 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide?
2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 421.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 118935203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).