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

C13H15ClN2O — CID 91645508

IUPAC1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)NC2CCc3cc(Cl)ccc32)CC1
InChIInChI=1S/C13H15ClN2O/c14-9-2-3-10-8(7-9)1-4-11(10)16-12(17)13(15)5-6-13/h2-3,7,11H,1,4-6,15H2,(H,16,17)
InChIKeyJBQFMVSHFNRWJX-UHFFFAOYSA-N
MW250.73 g/mol
LogP1.93
Rot. Bonds2

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

1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxamide (PubChem CID 91645508) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxamide
PubChem CID91645508
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)NC2CCc3cc(Cl)ccc32)CC1
InChIInChI=1S/C13H15ClN2O/c14-9-2-3-10-8(7-9)1-4-11(10)16-12(17)13(15)5-6-13/h2-3,7,11H,1,4-6,15H2,(H,16,17)
InChIKeyJBQFMVSHFNRWJX-UHFFFAOYSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide
CID 119300818
1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119300825
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 119300808
(2R)-N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyloxolane-2-carboxamide
CID 96537558
5-chloro-N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 164939975
(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
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 155283136
5-chloro-2,3-dihydro-1H-indene-1-carboxamide
CID 14857796
2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 81302223
1-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-(pyridin-2-ylmethyl)urea
CID 94594424
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-5-fluoro-2,3-dihydro-1,2-benzothiazole-6-carboxamide
CID 171794326

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxamide (CID 91645508) is 1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxamide is NC1(C(=O)NC2CCc3cc(Cl)ccc32)CC1.
What is the InChIKey of 1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxamide?
The InChIKey is JBQFMVSHFNRWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-9-2-3-10-8(7-9)1-4-11(10)16-12(17)13(15)5-6-13/h2-3,7,11H,1,4-6,15H2,(H,16,17).
What are the key properties of 1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxamide?
1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxamide has a molecular weight of 250.73 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 91645508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).