2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide

C12H15ClN2O — CID 81302223

IUPAC2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
SMILESCC(NC1CCc2cc(Cl)ccc21)C(N)=O
InChIInChI=1S/C12H15ClN2O/c1-7(12(14)16)15-11-5-2-8-6-9(13)3-4-10(8)11/h3-4,6-7,11,15H,2,5H2,1H3,(H2,14,16)
InChIKeyPNWRYMWJTFQWJN-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.79
Rot. Bonds3

About 2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide

2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide (PubChem CID 81302223) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
PubChem CID81302223
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
SMILESCC(NC1CCc2cc(Cl)ccc21)C(N)=O
InChIInChI=1S/C12H15ClN2O/c1-7(12(14)16)15-11-5-2-8-6-9(13)3-4-10(8)11/h3-4,6-7,11,15H,2,5H2,1H3,(H2,14,16)
InChIKeyPNWRYMWJTFQWJN-UHFFFAOYSA-N
XLogP1.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride
CID 119300803
5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 104827853
3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 81338301
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454831
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 119300808
(2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
CID 97357898
5-chloro-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115725341
2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 81345581
5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81300722
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 60780698
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-1-ylamino)propanamide
CID 42887654
5-chloro-2,3-dihydro-1H-indene-1-carboxamide
CID 14857796

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide?
The IUPAC name of 2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide (CID 81302223) is 2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide.
What is the SMILES notation for 2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide?
The canonical SMILES for 2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide is CC(NC1CCc2cc(Cl)ccc21)C(N)=O.
What is the InChIKey of 2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide?
The InChIKey is PNWRYMWJTFQWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-7(12(14)16)15-11-5-2-8-6-9(13)3-4-10(8)11/h3-4,6-7,11,15H,2,5H2,1H3,(H2,14,16).
What are the key properties of 2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide?
2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide has a molecular weight of 238.72 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide is sourced from PubChem (CID 81302223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).