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

C18H17Cl2N3O — CID 2658774

IUPAC(2R)-N-(4-cyanophenyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]propanamide
SMILESC[C@H](C(=O)Nc1ccc(C#N)cc1)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2N3O/c1-12(18(24)22-15-6-3-13(10-21)4-7-15)23(2)11-14-5-8-16(19)17(20)9-14/h3-9,12H,11H2,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyVWUQTJUTVBATAD-GFCCVEGCSA-N
MW362.26 g/mol
LogP4.32
Rot. Bonds5

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

(2R)-N-(4-cyanophenyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]propanamide (PubChem CID 2658774) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is (2R)-N-(4-cyanophenyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-cyanophenyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]propanamide
PubChem CID2658774
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC Name(2R)-N-(4-cyanophenyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]propanamide
SMILESC[C@H](C(=O)Nc1ccc(C#N)cc1)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2N3O/c1-12(18(24)22-15-6-3-13(10-21)4-7-15)23(2)11-14-5-8-16(19)17(20)9-14/h3-9,12H,11H2,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyVWUQTJUTVBATAD-GFCCVEGCSA-N
XLogP4.32
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 17405256
N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43263401
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43215756
(2R)-N-(4-cyanophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434065
(2R)-2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-cyanophenyl)propanamide
CID 2462077
(2S)-N-(4-chlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide
CID 9357109
(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7433052
(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 8802663
N-(2-cyanoethyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]-N-methylpropanamide
CID 78826410
(2S)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 9357083
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 8747232
N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide
CID 42911459

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-cyanophenyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]propanamide?
The IUPAC name of (2R)-N-(4-cyanophenyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]propanamide (CID 2658774) is (2R)-N-(4-cyanophenyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2R)-N-(4-cyanophenyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2R)-N-(4-cyanophenyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]propanamide is C[C@H](C(=O)Nc1ccc(C#N)cc1)N(C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-N-(4-cyanophenyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]propanamide?
The InChIKey is VWUQTJUTVBATAD-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17Cl2N3O/c1-12(18(24)22-15-6-3-13(10-21)4-7-15)23(2)11-14-5-8-16(19)17(20)9-14/h3-9,12H,11H2,1-2H3,(H,22,24)/t12-/m1/s1.
What are the key properties of (2R)-N-(4-cyanophenyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]propanamide?
(2R)-N-(4-cyanophenyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]propanamide has a molecular weight of 362.26 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-cyanophenyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 2658774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).