3-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C17H23ClN2O2 — CID 119734033

IUPAC3-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)NC1COc2ccccc2C1
InChIInChI=1S/C17H22N2O2.ClH/c18-16-12-6-5-11(7-12)15(16)17(20)19-13-8-10-3-1-2-4-14(10)21-9-13;/h1-4,11-13,15-16H,5-9,18H2,(H,19,20);1H
InChIKeyCUSUFBPQKSDHPN-UHFFFAOYSA-N
MW322.84 g/mol
LogP1.90
Rot. Bonds2

About 3-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119734033) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 3-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119734033
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name3-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)NC1COc2ccccc2C1
InChIInChI=1S/C17H22N2O2.ClH/c18-16-12-6-5-11(7-12)15(16)17(20)19-13-8-10-3-1-2-4-14(10)21-9-13;/h1-4,11-13,15-16H,5-9,18H2,(H,19,20);1H
InChIKeyCUSUFBPQKSDHPN-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

9-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985986
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CID 119734023
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119685138
trans-(1R,2R)-2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131901
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
N-(3,4-dihydro-2H-chromen-3-yl)morpholine-3-carboxamide;hydrochloride
CID 119734021
(4S)-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-oxoimidazolidine-4-carboxamide
CID 97083464
4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide
CID 110751510
N-(3,4-dihydro-2H-chromen-3-yl)morpholine-2-carboxamide;hydrochloride
CID 119734072
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 94466647
2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride
CID 119295204
1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124590872

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119734033) is 3-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cl.NC1C2CCC(C2)C1C(=O)NC1COc2ccccc2C1.
What is the InChIKey of 3-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is CUSUFBPQKSDHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.ClH/c18-16-12-6-5-11(7-12)15(16)17(20)19-13-8-10-3-1-2-4-14(10)21-9-13;/h1-4,11-13,15-16H,5-9,18H2,(H,19,20);1H.
What are the key properties of 3-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dihydro-2H-chromen-3-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119734033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).