3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide

C17H17FN2O — CID 43652118

IUPAC3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(CNC2CCc3ccccc32)c1
InChIInChI=1S/C17H17FN2O/c18-15-7-5-12(17(19)21)9-13(15)10-20-16-8-6-11-3-1-2-4-14(11)16/h1-5,7,9,16,20H,6,8,10H2,(H2,19,21)
InChIKeyOJLZBQYTVGZEEG-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.70
Rot. Bonds4

About 3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide

3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide (PubChem CID 43652118) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide
PubChem CID43652118
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(CNC2CCc3ccccc32)c1
InChIInChI=1S/C17H17FN2O/c18-15-7-5-12(17(19)21)9-13(15)10-20-16-8-6-11-3-1-2-4-14(11)16/h1-5,7,9,16,20H,6,8,10H2,(H2,19,21)
InChIKeyOJLZBQYTVGZEEG-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-fluorophenol
CID 142098971
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 62537600
2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorophenol
CID 103948018
3-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43202872
4-fluoro-3-[(oxan-4-ylamino)methyl]benzamide
CID 43610147
N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181872
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride
CID 68604408
N-[(3-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 114452205
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181892
4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide
CID 116530881
4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-5-methylthiophene-2-carboxylic acid
CID 103239487

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide?
The IUPAC name of 3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide (CID 43652118) is 3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide?
The canonical SMILES for 3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide is NC(=O)c1ccc(F)c(CNC2CCc3ccccc32)c1.
What is the InChIKey of 3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide?
The InChIKey is OJLZBQYTVGZEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-15-7-5-12(17(19)21)9-13(15)10-20-16-8-6-11-3-1-2-4-14(11)16/h1-5,7,9,16,20H,6,8,10H2,(H2,19,21).
What are the key properties of 3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide?
3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide has a molecular weight of 284.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide is sourced from PubChem (CID 43652118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).