N-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide

C18H16Cl2N2O2 — CID 55793168

IUPACN-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)NC(C)c1ccc(C#N)cc1
InChIInChI=1S/C18H16Cl2N2O2/c1-11(14-5-3-13(10-21)4-6-14)22-18(23)12(2)24-15-7-8-16(19)17(20)9-15/h3-9,11-12H,1-2H3,(H,22,23)
InChIKeyBXZBHVQMTZXODN-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.51
Rot. Bonds5

About N-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide

N-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide (PubChem CID 55793168) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide
PubChem CID55793168
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC NameN-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)NC(C)c1ccc(C#N)cc1
InChIInChI=1S/C18H16Cl2N2O2/c1-11(14-5-3-13(10-21)4-6-14)22-18(23)12(2)24-15-7-8-16(19)17(20)9-15/h3-9,11-12H,1-2H3,(H,22,23)
InChIKeyBXZBHVQMTZXODN-UHFFFAOYSA-N
XLogP4.51
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 8580031
(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7433052
2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide
CID 47109802
2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)propanamide
CID 51193139
2-(4-cyanophenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
CID 46650681
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-chlorophenyl)ethyl]propanamide
CID 8751655
(2S)-2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 8579899
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 8579894
2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide
CID 6265900
(2R)-2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide
CID 5433222
2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133190294
2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide
CID 2993977

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide (CID 55793168) is N-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide is CC(Oc1ccc(Cl)c(Cl)c1)C(=O)NC(C)c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide?
The InChIKey is BXZBHVQMTZXODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-11(14-5-3-13(10-21)4-6-14)22-18(23)12(2)24-15-7-8-16(19)17(20)9-15/h3-9,11-12H,1-2H3,(H,22,23).
What are the key properties of N-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide?
N-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide has a molecular weight of 363.24 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 55793168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).