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

C16H13ClN2 — CID 55196697

IUPAC3-chloro-4-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2ccc3c(c2)CCC3)c(Cl)c1
InChIInChI=1S/C16H13ClN2/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
InChIKeyZVCPCHCFUQALHL-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.44
Rot. Bonds2

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

3-chloro-4-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile (PubChem CID 55196697) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 3-chloro-4-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile.

Molecular Properties

Compound Name3-chloro-4-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile
PubChem CID55196697
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name3-chloro-4-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2ccc3c(c2)CCC3)c(Cl)c1
InChIInChI=1S/C16H13ClN2/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
InChIKeyZVCPCHCFUQALHL-UHFFFAOYSA-N
XLogP4.44
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1H-inden-5-ylamino)-3-fluorobenzonitrile
CID 43657118
3-chloro-4-(3,5-dichloroanilino)benzonitrile
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3-chloro-4-(3-chloroanilino)benzonitrile
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2-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile
CID 28517433
4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile
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3-chloro-4-[(2-hydrazinyl-4-pyridinyl)amino]benzonitrile
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3-chloro-4-(3-methoxyanilino)benzonitrile
CID 55179677
3-chloro-4-(4-methyl-3-nitroanilino)benzonitrile
CID 63089030
3-chloro-4-(3-iodo-4-nitroanilino)benzonitrile
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4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine
CID 60725987
4-(3-chloro-4-methylanilino)-3-methylbenzonitrile
CID 55195164
3,5,6-trichloro-N-(2,3-dihydro-1H-inden-5-yl)pyridin-2-amine
CID 102750004

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile?
The IUPAC name of 3-chloro-4-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile (CID 55196697) is 3-chloro-4-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile.
What is the SMILES notation for 3-chloro-4-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile?
The canonical SMILES for 3-chloro-4-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile is N#Cc1ccc(Nc2ccc3c(c2)CCC3)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile?
The InChIKey is ZVCPCHCFUQALHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/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 3-chloro-4-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile?
3-chloro-4-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile has a molecular weight of 268.75 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile is sourced from PubChem (CID 55196697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).