(2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride

C18H20Cl2N2O — CID 119302125

IUPAC(2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)NC1CCc2c(Cl)cccc21
InChIInChI=1S/C18H19ClN2O.ClH/c19-15-8-4-7-14-13(15)9-10-17(14)21-18(22)16(20)11-12-5-2-1-3-6-12;/h1-8,16-17H,9-11,20H2,(H,21,22);1H/t16-,17?;/m0./s1
InChIKeySXVHPELFOWKFEW-KHTASDDNSA-N
MW351.28 g/mol
LogP3.44
Rot. Bonds4

About (2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride (PubChem CID 119302125) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride
PubChem CID119302125
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC Name(2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)NC1CCc2c(Cl)cccc21
InChIInChI=1S/C18H19ClN2O.ClH/c19-15-8-4-7-14-13(15)9-10-17(14)21-18(22)16(20)11-12-5-2-1-3-6-12;/h1-8,16-17H,9-11,20H2,(H,21,22);1H/t16-,17?;/m0./s1
InChIKeySXVHPELFOWKFEW-KHTASDDNSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide
CID 61156315
[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea
CID 129403037
(2S)-2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylpropanamide;hydrochloride
CID 119291334
2-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylpropanamide
CID 119275002
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119319374
(2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide
CID 119293122
cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
CID 119285391
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119309135
(2R)-2-[[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide
CID 95582124
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119892048
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride (CID 119302125) is (2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride is Cl.N[C@@H](Cc1ccccc1)C(=O)NC1CCc2c(Cl)cccc21.
What is the InChIKey of (2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride?
The InChIKey is SXVHPELFOWKFEW-KHTASDDNSA-N. The full InChI is InChI=1S/C18H19ClN2O.ClH/c19-15-8-4-7-14-13(15)9-10-17(14)21-18(22)16(20)11-12-5-2-1-3-6-12;/h1-8,16-17H,9-11,20H2,(H,21,22);1H/t16-,17?;/m0./s1.
What are the key properties of (2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride has a molecular weight of 351.28 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119302125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).