3-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropanamide;hydrochloride

C18H20Cl2N2O2 — CID 119950489

IUPAC3-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)NC1CCOc2c(Cl)cccc21)c1ccccc1
InChIInChI=1S/C18H19ClN2O2.ClH/c19-14-8-4-7-13-16(9-10-23-18(13)14)21-17(22)11-15(20)12-5-2-1-3-6-12;/h1-8,15-16H,9-11,20H2,(H,21,22);1H
InChIKeyYDLJQNDEPRRLBX-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.79
Rot. Bonds4

About 3-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropanamide;hydrochloride

3-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropanamide;hydrochloride (PubChem CID 119950489) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 3-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropanamide;hydrochloride
PubChem CID119950489
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name3-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)NC1CCOc2c(Cl)cccc21)c1ccccc1
InChIInChI=1S/C18H19ClN2O2.ClH/c19-14-8-4-7-13-16(9-10-23-18(13)14)21-17(22)11-15(20)12-5-2-1-3-6-12;/h1-8,15-16H,9-11,20H2,(H,21,22);1H
InChIKeyYDLJQNDEPRRLBX-UHFFFAOYSA-N
XLogP3.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(ethylsulfonylamino)acetamide
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trans-(1R,2R)-2-[[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
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3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride
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3-amino-3-phenyl-N-(2-phenyloxolan-3-yl)propanamide
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3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropanamide;hydrochloride (CID 119950489) is 3-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropanamide;hydrochloride is Cl.NC(CC(=O)NC1CCOc2c(Cl)cccc21)c1ccccc1.
What is the InChIKey of 3-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropanamide;hydrochloride?
The InChIKey is YDLJQNDEPRRLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2.ClH/c19-14-8-4-7-13-16(9-10-23-18(13)14)21-17(22)11-15(20)12-5-2-1-3-6-12;/h1-8,15-16H,9-11,20H2,(H,21,22);1H.
What are the key properties of 3-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropanamide;hydrochloride?
3-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropanamide;hydrochloride has a molecular weight of 367.28 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119950489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).