2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-methoxypropanamide

C13H17ClN2O2 — CID 120987352

IUPAC2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C13H17ClN2O2/c1-18-7-11(15)13(17)16-12-5-2-8-6-9(14)3-4-10(8)12/h3-4,6,11-12H,2,5,7,15H2,1H3,(H,16,17)
InChIKeyPVQAVDPXPIUELV-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.42
Rot. Bonds4

About 2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-methoxypropanamide

2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-methoxypropanamide (PubChem CID 120987352) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-methoxypropanamide
PubChem CID120987352
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C13H17ClN2O2/c1-18-7-11(15)13(17)16-12-5-2-8-6-9(14)3-4-10(8)12/h3-4,6,11-12H,2,5,7,15H2,1H3,(H,16,17)
InChIKeyPVQAVDPXPIUELV-UHFFFAOYSA-N
XLogP1.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride
CID 119300803
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789365
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 119300808
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-(2-methoxyethyl)phenyl]urea
CID 126793549
2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 120993751
1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxamide
CID 91645508
2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 81302223
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454831
2-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 81089612
1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119300825
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-methoxypropanamide (CID 120987352) is 2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-methoxypropanamide is COCC(N)C(=O)NC1CCc2cc(Cl)ccc21.
What is the InChIKey of 2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-methoxypropanamide?
The InChIKey is PVQAVDPXPIUELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-18-7-11(15)13(17)16-12-5-2-8-6-9(14)3-4-10(8)12/h3-4,6,11-12H,2,5,7,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-methoxypropanamide?
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-methoxypropanamide has a molecular weight of 268.74 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-methoxypropanamide is sourced from PubChem (CID 120987352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).