N-[5-(4-aminophenoxy)pentyl]-2-(4-chlorophenoxy)acetamide

C19H23ClN2O3 — CID 3026007

IUPACN-[5-(4-aminophenoxy)pentyl]-2-(4-chlorophenoxy)acetamide
SMILESNc1ccc(OCCCCCNC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O3/c20-15-4-8-18(9-5-15)25-14-19(23)22-12-2-1-3-13-24-17-10-6-16(21)7-11-17/h4-11H,1-3,12-14,21H2,(H,22,23)
InChIKeyFSOHSRSMKXNYNI-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.67
Rot. Bonds10

About N-[5-(4-aminophenoxy)pentyl]-2-(4-chlorophenoxy)acetamide

N-[5-(4-aminophenoxy)pentyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 3026007) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[5-(4-aminophenoxy)pentyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(4-aminophenoxy)pentyl]-2-(4-chlorophenoxy)acetamide
PubChem CID3026007
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC NameN-[5-(4-aminophenoxy)pentyl]-2-(4-chlorophenoxy)acetamide
SMILESNc1ccc(OCCCCCNC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O3/c20-15-4-8-18(9-5-15)25-14-19(23)22-12-2-1-3-13-24-17-10-6-16(21)7-11-17/h4-11H,1-3,12-14,21H2,(H,22,23)
InChIKeyFSOHSRSMKXNYNI-UHFFFAOYSA-N
XLogP3.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-phenoxyacetamide
CID 309534
2-(4-chlorophenoxy)-N-(2-morpholinophenyl)propionamide
CID 16321487
2-(4-Chlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 2951236
N-[2-(3,4-dichlorophenoxy)ethyl]-2-[4-(methanesulfonamido)phenoxy]acetamide
CID 46226988
N-(3-chlorophenyl)-2-phenoxyacetamide
CID 309613
2-(4-chloro-2-nitrophenoxy)-N-cyclohexylacetamide
CID 973131
2-(4-anilinophenoxy)-N-(2-methoxyethyl)acetamide
CID 2532044
N~1~-[4-(4-chlorophenoxy)phenyl]-N~2~,N~2~-dimethylglycinamide hydrochloride
CID 2990456
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 8002654
2-(4-chlorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 24818035
(2S)-3-[N-acetyl-4-(4-chlorophenoxy)anilino]-N,2-dihydroxypropanamide
CID 44454741
N-(3-chlorophenyl)-2-phenoxy-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 44579843

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-aminophenoxy)pentyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[5-(4-aminophenoxy)pentyl]-2-(4-chlorophenoxy)acetamide (CID 3026007) is N-[5-(4-aminophenoxy)pentyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[5-(4-aminophenoxy)pentyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[5-(4-aminophenoxy)pentyl]-2-(4-chlorophenoxy)acetamide is Nc1ccc(OCCCCCNC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[5-(4-aminophenoxy)pentyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is FSOHSRSMKXNYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c20-15-4-8-18(9-5-15)25-14-19(23)22-12-2-1-3-13-24-17-10-6-16(21)7-11-17/h4-11H,1-3,12-14,21H2,(H,22,23).
What are the key properties of N-[5-(4-aminophenoxy)pentyl]-2-(4-chlorophenoxy)acetamide?
N-[5-(4-aminophenoxy)pentyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 362.86 g/mol, XLogP of 3.67, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-aminophenoxy)pentyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 3026007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).