(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride

C18H22Cl2N2O2 — CID 119336981

IUPAC(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride
SMILESCC(CNC(=O)[C@@H](N)Cc1ccccc1)Oc1cccc(Cl)c1.Cl
InChIInChI=1S/C18H21ClN2O2.ClH/c1-13(23-16-9-5-8-15(19)11-16)12-21-18(22)17(20)10-14-6-3-2-4-7-14;/h2-9,11,13,17H,10,12,20H2,1H3,(H,21,22);1H/t13?,17-;/m0./s1
InChIKeyZGMQGRWTBHAZNP-LPQWCSLBSA-N
MW369.29 g/mol
LogP3.22
Rot. Bonds7

About (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119336981) has the molecular formula C18H22Cl2N2O2 and a molecular weight of 369.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride
PubChem CID119336981
Molecular FormulaC18H22Cl2N2O2
Molecular Weight369.29 g/mol
Exact Mass368.11
IUPAC Name(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride
SMILESCC(CNC(=O)[C@@H](N)Cc1ccccc1)Oc1cccc(Cl)c1.Cl
InChIInChI=1S/C18H21ClN2O2.ClH/c1-13(23-16-9-5-8-15(19)11-16)12-21-18(22)17(20)10-14-6-3-2-4-7-14;/h2-9,11,13,17H,10,12,20H2,1H3,(H,21,22);1H/t13?,17-;/m0./s1
InChIKeyZGMQGRWTBHAZNP-LPQWCSLBSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide
CID 119335528
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119807149
(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119290472
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119336983
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide
CID 119807122
N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119807127
(2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119335772
N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119807128
3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride
CID 119336975
(2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide
CID 119335617
N-benzyl-2-(3-chlorophenoxy)propan-1-amine
CID 55053571
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride (CID 119336981) is (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride is CC(CNC(=O)[C@@H](N)Cc1ccccc1)Oc1cccc(Cl)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is ZGMQGRWTBHAZNP-LPQWCSLBSA-N. The full InChI is InChI=1S/C18H21ClN2O2.ClH/c1-13(23-16-9-5-8-15(19)11-16)12-21-18(22)17(20)10-14-6-3-2-4-7-14;/h2-9,11,13,17H,10,12,20H2,1H3,(H,21,22);1H/t13?,17-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 369.29 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119336981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).