4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide

C16H14F2N2O — CID 116530881

IUPAC4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide
SMILESNC(=O)c1ccc(F)c(NC2CCc3cc(F)ccc32)c1
InChIInChI=1S/C16H14F2N2O/c17-11-3-4-12-9(7-11)2-6-14(12)20-15-8-10(16(19)21)1-5-13(15)18/h1,3-5,7-8,14,20H,2,6H2,(H2,19,21)
InChIKeyVEECPEULHCNLCB-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.16
Rot. Bonds3

About 4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide

4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide (PubChem CID 116530881) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide
PubChem CID116530881
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide
SMILESNC(=O)c1ccc(F)c(NC2CCc3cc(F)ccc32)c1
InChIInChI=1S/C16H14F2N2O/c17-11-3-4-12-9(7-11)2-6-14(12)20-15-8-10(16(19)21)1-5-13(15)18/h1,3-5,7-8,14,20H,2,6H2,(H2,19,21)
InChIKeyVEECPEULHCNLCB-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 107682090
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 116530834
N-(2,3-difluorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530973
(5-fluoro-2,3-dihydro-1H-inden-1-yl) 5-carbamoyl-2-fluorobenzoate
CID 167790119
3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-4-fluorobenzamide
CID 82687291
2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethylurea
CID 116531124
4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide
CID 133468614
4-bromo-2-fluoro-6-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]benzenesulfonamide
CID 166343044
3-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43202872
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]benzamide
CID 79741931
1-[2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]phenyl]ethanol
CID 116530980
3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide
CID 43652118

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide?
The IUPAC name of 4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide (CID 116530881) is 4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide.
What is the SMILES notation for 4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide?
The canonical SMILES for 4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide is NC(=O)c1ccc(F)c(NC2CCc3cc(F)ccc32)c1.
What is the InChIKey of 4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide?
The InChIKey is VEECPEULHCNLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c17-11-3-4-12-9(7-11)2-6-14(12)20-15-8-10(16(19)21)1-5-13(15)18/h1,3-5,7-8,14,20H,2,6H2,(H2,19,21).
What are the key properties of 4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide?
4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide has a molecular weight of 288.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide is sourced from PubChem (CID 116530881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).