4-(2,3-dihydro-1H-inden-5-ylamino)-3-fluorobenzonitrile

C16H13FN2 — CID 43657118

IUPAC4-(2,3-dihydro-1H-inden-5-ylamino)-3-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2ccc3c(c2)CCC3)c(F)c1
InChIInChI=1S/C16H13FN2/c17-15-8-11(10-18)4-7-16(15)19-14-6-5-12-2-1-3-13(12)9-14/h4-9,19H,1-3H2
InChIKeyXBPJFJYCVNULAB-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.93
Rot. Bonds2

About 4-(2,3-dihydro-1H-inden-5-ylamino)-3-fluorobenzonitrile

4-(2,3-dihydro-1H-inden-5-ylamino)-3-fluorobenzonitrile (PubChem CID 43657118) has the molecular formula C16H13FN2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-ylamino)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-ylamino)-3-fluorobenzonitrile
PubChem CID43657118
Molecular FormulaC16H13FN2
Molecular Weight252.29 g/mol
Exact Mass252.11
IUPAC Name4-(2,3-dihydro-1H-inden-5-ylamino)-3-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2ccc3c(c2)CCC3)c(F)c1
InChIInChI=1S/C16H13FN2/c17-15-8-11(10-18)4-7-16(15)19-14-6-5-12-2-1-3-13(12)9-14/h4-9,19H,1-3H2
InChIKeyXBPJFJYCVNULAB-UHFFFAOYSA-N
XLogP3.93
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile
CID 55196697
3-fluoro-4-(3-fluoro-4-methylanilino)benzonitrile
CID 43657209
3-fluoro-4-(3-fluoroanilino)benzonitrile
CID 43657175
2-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile
CID 28517433
3-fluoro-4-(3-iodoanilino)benzonitrile
CID 43657311
4-(4-bromo-3-methoxyanilino)-3-fluorobenzonitrile
CID 82867653
3-fluoro-4-(pyridin-3-ylamino)benzonitrile
CID 43657005
2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile
CID 115499036
5-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79376403
4-bromo-1-N-(2,3-dihydro-1H-inden-5-yl)-5-fluorobenzene-1,2-diamine
CID 66112257
3-fluoro-4-(methylamino)benzonitrile
CID 21029569
3-fluoro-4-(propan-2-ylamino)benzonitrile
CID 43656980

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylamino)-3-fluorobenzonitrile?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylamino)-3-fluorobenzonitrile (CID 43657118) is 4-(2,3-dihydro-1H-inden-5-ylamino)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-ylamino)-3-fluorobenzonitrile?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-ylamino)-3-fluorobenzonitrile is N#Cc1ccc(Nc2ccc3c(c2)CCC3)c(F)c1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-ylamino)-3-fluorobenzonitrile?
The InChIKey is XBPJFJYCVNULAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2/c17-15-8-11(10-18)4-7-16(15)19-14-6-5-12-2-1-3-13(12)9-14/h4-9,19H,1-3H2.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-ylamino)-3-fluorobenzonitrile?
4-(2,3-dihydro-1H-inden-5-ylamino)-3-fluorobenzonitrile has a molecular weight of 252.29 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-ylamino)-3-fluorobenzonitrile is sourced from PubChem (CID 43657118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).