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

C16H22Cl2N2O — CID 119300825

IUPAC1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NC2CCc3cc(Cl)ccc32)CCCCC1
InChIInChI=1S/C16H21ClN2O.ClH/c17-12-5-6-13-11(10-12)4-7-14(13)19-15(20)16(18)8-2-1-3-9-16;/h5-6,10,14H,1-4,7-9,18H2,(H,19,20);1H
InChIKeyURCSMJIGCFSWFH-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.53
Rot. Bonds2

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

1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119300825) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119300825
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NC2CCc3cc(Cl)ccc32)CCCCC1
InChIInChI=1S/C16H21ClN2O.ClH/c17-12-5-6-13-11(10-12)4-7-14(13)19-15(20)16(18)8-2-1-3-9-16;/h5-6,10,14H,1-4,7-9,18H2,(H,19,20);1H
InChIKeyURCSMJIGCFSWFH-UHFFFAOYSA-N
XLogP3.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R)-N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyloxolane-2-carboxamide
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2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
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[1-[[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclohexyl]methanol
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2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-methoxypropanamide
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide;hydrochloride (CID 119300825) is 1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NC2CCc3cc(Cl)ccc32)CCCCC1.
What is the InChIKey of 1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is URCSMJIGCFSWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O.ClH/c17-12-5-6-13-11(10-12)4-7-14(13)19-15(20)16(18)8-2-1-3-9-16;/h5-6,10,14H,1-4,7-9,18H2,(H,19,20);1H.
What are the key properties of 1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 329.27 g/mol, XLogP of 3.53, 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)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119300825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).