(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride

C12H16Cl2N2O — CID 119300803

IUPAC(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NC1CCc2cc(Cl)ccc21.Cl
InChIInChI=1S/C12H15ClN2O.ClH/c1-7(14)12(16)15-11-5-2-8-6-9(13)3-4-10(8)11;/h3-4,6-7,11H,2,5,14H2,1H3,(H,15,16);1H/t7-,11?;/m0./s1
InChIKeyFBDREJMSLSLRNY-SRDKQIOZSA-N
MW275.18 g/mol
LogP2.21
Rot. Bonds2

About (2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride

(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride (PubChem CID 119300803) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride
PubChem CID119300803
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NC1CCc2cc(Cl)ccc21.Cl
InChIInChI=1S/C12H15ClN2O.ClH/c1-7(14)12(16)15-11-5-2-8-6-9(13)3-4-10(8)11;/h3-4,6-7,11H,2,5,14H2,1H3,(H,15,16);1H/t7-,11?;/m0./s1
InChIKeyFBDREJMSLSLRNY-SRDKQIOZSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-methoxypropanamide
CID 120987352
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CID 120789365
2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 81302223
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
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1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxamide
CID 91645508
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454831
1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119300825
(2R)-2-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
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N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119744290
1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide
CID 119300818
(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119302149
5-chloro-N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 164939975

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride (CID 119300803) is (2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride is C[C@H](N)C(=O)NC1CCc2cc(Cl)ccc21.Cl.
What is the InChIKey of (2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride?
The InChIKey is FBDREJMSLSLRNY-SRDKQIOZSA-N. The full InChI is InChI=1S/C12H15ClN2O.ClH/c1-7(14)12(16)15-11-5-2-8-6-9(13)3-4-10(8)11;/h3-4,6-7,11H,2,5,14H2,1H3,(H,15,16);1H/t7-,11?;/m0./s1.
What are the key properties of (2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride?
(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride has a molecular weight of 275.18 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 119300803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).