N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide

C15H12ClN3O2 — CID 29050645

IUPACN-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2N)cc1
InChIInChI=1S/C15H12ClN3O2/c16-11-3-6-13(18)14(7-11)19-15(20)9-21-12-4-1-10(8-17)2-5-12/h1-7H,9,18H2,(H,19,20)
InChIKeyLXGGNCFJCDQBTP-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.81
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide

N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide (PubChem CID 29050645) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide
PubChem CID29050645
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC NameN-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2N)cc1
InChIInChI=1S/C15H12ClN3O2/c16-11-3-6-13(18)14(7-11)19-15(20)9-21-12-4-1-10(8-17)2-5-12/h1-7H,9,18H2,(H,19,20)
InChIKeyLXGGNCFJCDQBTP-UHFFFAOYSA-N
XLogP2.81
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472
2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 1034300
N-(2-amino-5-chlorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63878984
N-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide
CID 43376508
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(4-cyanophenoxy)acetamide
CID 2526017
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9141284
N-(2-aminophenyl)-2-(4-chlorophenoxy)acetamide
CID 16786707
N-(2-chloro-4-fluorophenyl)-2-(4-cyanophenoxy)acetamide
CID 7771641
N-(2-amino-5-chlorophenyl)-2-(4-ethoxyphenyl)acetamide;hydrate
CID 21154135
N-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 43376506
N-(2-amino-5-chlorophenyl)-2-(2,6-dibromophenoxy)acetamide
CID 29050775
N-(2-amino-4-chlorophenyl)-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 61229132

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide (CID 29050645) is N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide is N#Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide?
The InChIKey is LXGGNCFJCDQBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-11-3-6-13(18)14(7-11)19-15(20)9-21-12-4-1-10(8-17)2-5-12/h1-7H,9,18H2,(H,19,20).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide?
N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide has a molecular weight of 301.73 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide is sourced from PubChem (CID 29050645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).