3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride

C18H22Cl2N2O — CID 119949676

IUPAC3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
SMILESCCC(NC(=O)CC(N)c1ccccc1)c1cccc(Cl)c1.Cl
InChIInChI=1S/C18H21ClN2O.ClH/c1-2-17(14-9-6-10-15(19)11-14)21-18(22)12-16(20)13-7-4-3-5-8-13;/h3-11,16-17H,2,12,20H2,1H3,(H,21,22);1H
InChIKeyGWRPVCZXZCUONB-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.42
Rot. Bonds6

About 3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119949676) has the molecular formula C18H22Cl2N2O and a molecular weight of 353.29 g/mol. Its IUPAC name is 3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
PubChem CID119949676
Molecular FormulaC18H22Cl2N2O
Molecular Weight353.29 g/mol
Exact Mass352.11
IUPAC Name3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
SMILESCCC(NC(=O)CC(N)c1ccccc1)c1cccc(Cl)c1.Cl
InChIInChI=1S/C18H21ClN2O.ClH/c1-2-17(14-9-6-10-15(19)11-14)21-18(22)12-16(20)13-7-4-3-5-8-13;/h3-11,16-17H,2,12,20H2,1H3,(H,21,22);1H
InChIKeyGWRPVCZXZCUONB-UHFFFAOYSA-N
XLogP4.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 124684118
3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide
CID 134035215
3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119952385
3-amino-4-[1-(3-chlorophenyl)propylamino]-4-oxobutanoic acid
CID 64894322
2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide
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2-amino-N-[1-(3-chlorophenyl)propyl]pentanamide;hydrochloride
CID 119285536
(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide
CID 79011821
2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide
CID 54809039
4-amino-5-[1-(3-chlorophenyl)propylamino]-5-oxopentanoic acid
CID 64896597
3-amino-N-[2-(3-chlorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119951812
3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide
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3-(butanoylamino)-3-(3-chlorophenyl)propanoic acid
CID 112509587

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride (CID 119949676) is 3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride is CCC(NC(=O)CC(N)c1ccccc1)c1cccc(Cl)c1.Cl.
What is the InChIKey of 3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is GWRPVCZXZCUONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O.ClH/c1-2-17(14-9-6-10-15(19)11-14)21-18(22)12-16(20)13-7-4-3-5-8-13;/h3-11,16-17H,2,12,20H2,1H3,(H,21,22);1H.
What are the key properties of 3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 353.29 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119949676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).