N-[(3,4-dichlorophenyl)-phenylmethyl]-2-methyl-3-(methylamino)propanamide

C18H20Cl2N2O — CID 119740356

IUPACN-[(3,4-dichlorophenyl)-phenylmethyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC(c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N2O/c1-12(11-21-2)18(23)22-17(13-6-4-3-5-7-13)14-8-9-15(19)16(20)10-14/h3-10,12,17,21H,11H2,1-2H3,(H,22,23)
InChIKeyIKQXZIHIOJSHSI-UHFFFAOYSA-N
MW351.28 g/mol
LogP4.05
Rot. Bonds6

About N-[(3,4-dichlorophenyl)-phenylmethyl]-2-methyl-3-(methylamino)propanamide

N-[(3,4-dichlorophenyl)-phenylmethyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119740356) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)-phenylmethyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)-phenylmethyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119740356
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC NameN-[(3,4-dichlorophenyl)-phenylmethyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NC(c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N2O/c1-12(11-21-2)18(23)22-17(13-6-4-3-5-7-13)14-8-9-15(19)16(20)10-14/h3-10,12,17,21H,11H2,1-2H3,(H,22,23)
InChIKeyIKQXZIHIOJSHSI-UHFFFAOYSA-N
XLogP4.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide
CID 119875686
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119840627
2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride
CID 119796978
2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669709
(2S)-N-[(1R)-2-(2-chlorophenyl)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide
CID 99815635
N-(3,4-dichlorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119670901
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81378790
2-(3,4-dichlorophenyl)-4-methyl-1-(methylamino)pentan-3-one
CID 143606930
(2S)-N-benzhydryl-2-chloropropanamide
CID 2113355
3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669661
3-(3,4-dichlorophenyl)-3-phenylpropanoic acid
CID 3018921
4-[[2-methyl-3-(methylamino)propanoyl]amino]-4-phenylbutanoic acid
CID 79203169

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)-phenylmethyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[(3,4-dichlorophenyl)-phenylmethyl]-2-methyl-3-(methylamino)propanamide (CID 119740356) is N-[(3,4-dichlorophenyl)-phenylmethyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)-phenylmethyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)-phenylmethyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NC(c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)-phenylmethyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is IKQXZIHIOJSHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O/c1-12(11-21-2)18(23)22-17(13-6-4-3-5-7-13)14-8-9-15(19)16(20)10-14/h3-10,12,17,21H,11H2,1-2H3,(H,22,23).
What are the key properties of N-[(3,4-dichlorophenyl)-phenylmethyl]-2-methyl-3-(methylamino)propanamide?
N-[(3,4-dichlorophenyl)-phenylmethyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 351.28 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)-phenylmethyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119740356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).