N-[3-(2,3-dihydro-1H-inden-1-ylamino)-4-fluorophenyl]acetamide

C17H17FN2O — CID 43672603

IUPACN-[3-(2,3-dihydro-1H-inden-1-ylamino)-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NC2CCc3ccccc32)c1
InChIInChI=1S/C17H17FN2O/c1-11(21)19-13-7-8-15(18)17(10-13)20-16-9-6-12-4-2-3-5-14(12)16/h2-5,7-8,10,16,20H,6,9H2,1H3,(H,19,21)
InChIKeyUXMLVKJGRPVLHP-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.88
Rot. Bonds3

About N-[3-(2,3-dihydro-1H-inden-1-ylamino)-4-fluorophenyl]acetamide

N-[3-(2,3-dihydro-1H-inden-1-ylamino)-4-fluorophenyl]acetamide (PubChem CID 43672603) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N-[3-(2,3-dihydro-1H-inden-1-ylamino)-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydro-1H-inden-1-ylamino)-4-fluorophenyl]acetamide
PubChem CID43672603
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN-[3-(2,3-dihydro-1H-inden-1-ylamino)-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NC2CCc3ccccc32)c1
InChIInChI=1S/C17H17FN2O/c1-11(21)19-13-7-8-15(18)17(10-13)20-16-9-6-12-4-2-3-5-14(12)16/h2-5,7-8,10,16,20H,6,9H2,1H3,(H,19,21)
InChIKeyUXMLVKJGRPVLHP-UHFFFAOYSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-fluoro-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]acetamide
CID 62842115
N-[4-fluoro-2-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)phenyl]acetamide
CID 43056658
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43195451
N-(5-chloro-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43438379
N-[4-fluoro-3-[(2-methylcyclopentyl)amino]phenyl]acetamide
CID 65044597
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-(2-bromo-4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 81263302
N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 43119403
N-[3-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylphenyl]-2,2-dimethylpropanamide
CID 166202533
2-(2,3-dihydro-1H-inden-1-ylamino)-N-(3-fluorophenyl)propanamide
CID 42883500
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)-5-methylbenzoate
CID 43679244
2-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 115485174

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydro-1H-inden-1-ylamino)-4-fluorophenyl]acetamide?
The IUPAC name of N-[3-(2,3-dihydro-1H-inden-1-ylamino)-4-fluorophenyl]acetamide (CID 43672603) is N-[3-(2,3-dihydro-1H-inden-1-ylamino)-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[3-(2,3-dihydro-1H-inden-1-ylamino)-4-fluorophenyl]acetamide?
The canonical SMILES for N-[3-(2,3-dihydro-1H-inden-1-ylamino)-4-fluorophenyl]acetamide is CC(=O)Nc1ccc(F)c(NC2CCc3ccccc32)c1.
What is the InChIKey of N-[3-(2,3-dihydro-1H-inden-1-ylamino)-4-fluorophenyl]acetamide?
The InChIKey is UXMLVKJGRPVLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-11(21)19-13-7-8-15(18)17(10-13)20-16-9-6-12-4-2-3-5-14(12)16/h2-5,7-8,10,16,20H,6,9H2,1H3,(H,19,21).
What are the key properties of N-[3-(2,3-dihydro-1H-inden-1-ylamino)-4-fluorophenyl]acetamide?
N-[3-(2,3-dihydro-1H-inden-1-ylamino)-4-fluorophenyl]acetamide has a molecular weight of 284.33 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydro-1H-inden-1-ylamino)-4-fluorophenyl]acetamide is sourced from PubChem (CID 43672603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).