N-(3-chloro-4-cyanophenyl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide

C19H19Cl2N3O2 — CID 24507757

IUPACN-(3-chloro-4-cyanophenyl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide
SMILESCC(C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CCOc1ccccc1Cl
InChIInChI=1S/C19H19Cl2N3O2/c1-13(19(25)23-15-8-7-14(12-22)17(21)11-15)24(2)9-10-26-18-6-4-3-5-16(18)20/h3-8,11,13H,9-10H2,1-2H3,(H,23,25)
InChIKeyUWFBITOLJBJRNH-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.20
Rot. Bonds7

About N-(3-chloro-4-cyanophenyl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide

N-(3-chloro-4-cyanophenyl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide (PubChem CID 24507757) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide
PubChem CID24507757
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide
SMILESCC(C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CCOc1ccccc1Cl
InChIInChI=1S/C19H19Cl2N3O2/c1-13(19(25)23-15-8-7-14(12-22)17(21)11-15)24(2)9-10-26-18-6-4-3-5-16(18)20/h3-8,11,13H,9-10H2,1-2H3,(H,23,25)
InChIKeyUWFBITOLJBJRNH-UHFFFAOYSA-N
XLogP4.20
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide
CID 46631619
[1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 46617467
(2S)-N-(3-chloro-4-cyanophenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide
CID 9460940
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(2,4-difluorophenyl)propanamide
CID 46631679
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24507754
N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 17437572
N-(3-chloro-4-cyanophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 109398109
N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 18191756
(2S)-N-(3-chloro-4-cyanophenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide
CID 95344481
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856589
N-(2-cyanophenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 55351803
(2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 119862046

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide (CID 24507757) is N-(3-chloro-4-cyanophenyl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide is CC(C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CCOc1ccccc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide?
The InChIKey is UWFBITOLJBJRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-13(19(25)23-15-8-7-14(12-22)17(21)11-15)24(2)9-10-26-18-6-4-3-5-16(18)20/h3-8,11,13H,9-10H2,1-2H3,(H,23,25).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide?
N-(3-chloro-4-cyanophenyl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide has a molecular weight of 392.29 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-[2-(2-chlorophenoxy)ethyl-methylamino]propanamide is sourced from PubChem (CID 24507757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).