N-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide

C16H11Cl3N2O2 — CID 16529582

IUPACN-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
SMILESCC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H11Cl3N2O2/c1-9(23-15-7-13(18)12(17)6-14(15)19)16(22)21-11-4-2-3-10(5-11)8-20/h2-7,9H,1H3,(H,21,22)
InChIKeyGRPXJAVBTXEYNP-UHFFFAOYSA-N
MW369.64 g/mol
LogP4.92
Rot. Bonds4

About N-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide

N-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide (PubChem CID 16529582) has the molecular formula C16H11Cl3N2O2 and a molecular weight of 369.64 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
PubChem CID16529582
Molecular FormulaC16H11Cl3N2O2
Molecular Weight369.64 g/mol
Exact Mass367.99
IUPAC NameN-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
SMILESCC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H11Cl3N2O2/c1-9(23-15-7-13(18)12(17)6-14(15)19)16(22)21-11-4-2-3-10(5-11)8-20/h2-7,9H,1H3,(H,21,22)
InChIKeyGRPXJAVBTXEYNP-UHFFFAOYSA-N
XLogP4.92
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-chloro-4-cyanophenoxy)-N-(3-methylphenyl)propanamide
CID 8976723
(2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815212
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
(2S)-N-(3-cyanophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819136
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
CID 8976802
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate
CID 7864748
(2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide
CID 7694555
N-(3-chloro-4-methoxyphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 55422385
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide
CID 17450699
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 8976528
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide (CID 16529582) is N-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide is CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide?
The InChIKey is GRPXJAVBTXEYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2O2/c1-9(23-15-7-13(18)12(17)6-14(15)19)16(22)21-11-4-2-3-10(5-11)8-20/h2-7,9H,1H3,(H,21,22).
What are the key properties of N-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide?
N-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide has a molecular weight of 369.64 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide is sourced from PubChem (CID 16529582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).