3-amino-N-(5-chloro-2-propoxyphenyl)-3-phenylpropanamide;hydrochloride

C18H22Cl2N2O2 — CID 119949937

IUPAC3-amino-N-(5-chloro-2-propoxyphenyl)-3-phenylpropanamide;hydrochloride
SMILESCCCOc1ccc(Cl)cc1NC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C18H21ClN2O2.ClH/c1-2-10-23-17-9-8-14(19)11-16(17)21-18(22)12-15(20)13-6-4-3-5-7-13;/h3-9,11,15H,2,10,12,20H2,1H3,(H,21,22);1H
InChIKeyNSIFQQOVWQNVDE-UHFFFAOYSA-N
MW369.29 g/mol
LogP4.58
Rot. Bonds7

About 3-amino-N-(5-chloro-2-propoxyphenyl)-3-phenylpropanamide;hydrochloride

3-amino-N-(5-chloro-2-propoxyphenyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119949937) has the molecular formula C18H22Cl2N2O2 and a molecular weight of 369.29 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-2-propoxyphenyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(5-chloro-2-propoxyphenyl)-3-phenylpropanamide;hydrochloride
PubChem CID119949937
Molecular FormulaC18H22Cl2N2O2
Molecular Weight369.29 g/mol
Exact Mass368.11
IUPAC Name3-amino-N-(5-chloro-2-propoxyphenyl)-3-phenylpropanamide;hydrochloride
SMILESCCCOc1ccc(Cl)cc1NC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C18H21ClN2O2.ClH/c1-2-10-23-17-9-8-14(19)11-16(17)21-18(22)12-15(20)13-6-4-3-5-7-13;/h3-9,11,15H,2,10,12,20H2,1H3,(H,21,22);1H
InChIKeyNSIFQQOVWQNVDE-UHFFFAOYSA-N
XLogP4.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide
CID 82011180
(2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide
CID 103929030
3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
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N-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-2-propoxyphenyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(5-chloro-2-propoxyphenyl)-3-phenylpropanamide;hydrochloride (CID 119949937) is 3-amino-N-(5-chloro-2-propoxyphenyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(5-chloro-2-propoxyphenyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(5-chloro-2-propoxyphenyl)-3-phenylpropanamide;hydrochloride is CCCOc1ccc(Cl)cc1NC(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-(5-chloro-2-propoxyphenyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is NSIFQQOVWQNVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2.ClH/c1-2-10-23-17-9-8-14(19)11-16(17)21-18(22)12-15(20)13-6-4-3-5-7-13;/h3-9,11,15H,2,10,12,20H2,1H3,(H,21,22);1H.
What are the key properties of 3-amino-N-(5-chloro-2-propoxyphenyl)-3-phenylpropanamide;hydrochloride?
3-amino-N-(5-chloro-2-propoxyphenyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 369.29 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloro-2-propoxyphenyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119949937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).