3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride

C18H22Cl2N2O — CID 119951812

IUPAC3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride
SMILESCC(C)(NC(=O)CC(N)c1ccccc1)c1cccc(Cl)c1.Cl
InChIInChI=1S/C18H21ClN2O.ClH/c1-18(2,14-9-6-10-15(19)11-14)21-17(22)12-16(20)13-7-4-3-5-8-13;/h3-11,16H,12,20H2,1-2H3,(H,21,22);1H
InChIKeyHKBOHEAAXJYZNB-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.20
Rot. Bonds5

About 3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride

3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride (PubChem CID 119951812) has the molecular formula C18H22Cl2N2O and a molecular weight of 353.29 g/mol. Its IUPAC name is 3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride
PubChem CID119951812
Molecular FormulaC18H22Cl2N2O
Molecular Weight353.29 g/mol
Exact Mass352.11
IUPAC Name3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride
SMILESCC(C)(NC(=O)CC(N)c1ccccc1)c1cccc(Cl)c1.Cl
InChIInChI=1S/C18H21ClN2O.ClH/c1-18(2,14-9-6-10-15(19)11-14)21-17(22)12-16(20)13-7-4-3-5-8-13;/h3-11,16H,12,20H2,1-2H3,(H,21,22);1H
InChIKeyHKBOHEAAXJYZNB-UHFFFAOYSA-N
XLogP4.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide
CID 119951809
4-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
CID 120563069
3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119949676
3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride
CID 119951541
2-(3-chlorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118326
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide;dihydrochloride
CID 119953989
2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
CID 119330329
3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride
CID 119953291
3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide
CID 82724007
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119951826
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966
ethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951175

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride (CID 119951812) is 3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride is CC(C)(NC(=O)CC(N)c1ccccc1)c1cccc(Cl)c1.Cl.
What is the InChIKey of 3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride?
The InChIKey is HKBOHEAAXJYZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O.ClH/c1-18(2,14-9-6-10-15(19)11-14)21-17(22)12-16(20)13-7-4-3-5-8-13;/h3-11,16H,12,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride has a molecular weight of 353.29 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119951812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).