3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride

C18H21Cl3N2O — CID 119683610

IUPAC3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C(N)c1ccccc1.Cl
InChIInChI=1S/C18H20Cl2N2O.ClH/c1-12(17(21)14-6-4-3-5-7-14)18(23)22(2)11-13-8-9-15(19)16(20)10-13;/h3-10,12,17H,11,21H2,1-2H3;1H
InChIKeyCQPLULGADSUPKR-UHFFFAOYSA-N
MW387.74 g/mol
LogP4.71
Rot. Bonds5

About 3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride

3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride (PubChem CID 119683610) has the molecular formula C18H21Cl3N2O and a molecular weight of 387.74 g/mol. Its IUPAC name is 3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
PubChem CID119683610
Molecular FormulaC18H21Cl3N2O
Molecular Weight387.74 g/mol
Exact Mass386.07
IUPAC Name3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C(N)c1ccccc1.Cl
InChIInChI=1S/C18H20Cl2N2O.ClH/c1-12(17(21)14-6-4-3-5-7-14)18(23)22(2)11-13-8-9-15(19)16(20)10-13;/h3-10,12,17H,11,21H2,1-2H3;1H
InChIKeyCQPLULGADSUPKR-UHFFFAOYSA-N
XLogP4.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.74
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide
CID 119681290
3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119682920
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride
CID 119683628
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 43167904
3-amino-N,2-dimethyl-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 80552053
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide
CID 93367571
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
CID 61174614
3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 119958567
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983504
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929088
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 112792521
N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 55123171

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride (CID 119683610) is 3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride is CC(C(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride?
The InChIKey is CQPLULGADSUPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O.ClH/c1-12(17(21)14-6-4-3-5-7-14)18(23)22(2)11-13-8-9-15(19)16(20)10-13;/h3-10,12,17H,11,21H2,1-2H3;1H.
What are the key properties of 3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride?
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride has a molecular weight of 387.74 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119683610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).