N-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide

C15H14Cl2N2O2 — CID 61031479

IUPACN-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide
SMILESNc1ccc(OCCNC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H14Cl2N2O2/c16-11-7-10(8-12(17)9-11)15(20)19-5-6-21-14-3-1-13(18)2-4-14/h1-4,7-9H,5-6,18H2,(H,19,20)
InChIKeyGOEQTUFCAQWMCI-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.38
Rot. Bonds5

About N-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide

N-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide (PubChem CID 61031479) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is N-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide
PubChem CID61031479
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC NameN-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide
SMILESNc1ccc(OCCNC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H14Cl2N2O2/c16-11-7-10(8-12(17)9-11)15(20)19-5-6-21-14-3-1-13(18)2-4-14/h1-4,7-9H,5-6,18H2,(H,19,20)
InChIKeyGOEQTUFCAQWMCI-UHFFFAOYSA-N
XLogP3.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-aminophenoxy)ethyl]-3,5-dibromobenzamide
CID 107971002
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide
CID 39373072
4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide
CID 3026991
N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 2295339
3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide
CID 107952345
N-[2-(4-aminophenoxy)ethyl]-2-bromo-4-fluorobenzamide
CID 61031991
N-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide
CID 114343182
methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635
N-[2-(4-aminophenoxy)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 63237844
ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097624

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide?
The IUPAC name of N-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide (CID 61031479) is N-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide.
What is the SMILES notation for N-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide?
The canonical SMILES for N-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide is Nc1ccc(OCCNC(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide?
The InChIKey is GOEQTUFCAQWMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-11-7-10(8-12(17)9-11)15(20)19-5-6-21-14-3-1-13(18)2-4-14/h1-4,7-9H,5-6,18H2,(H,19,20).
What are the key properties of N-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide?
N-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide has a molecular weight of 325.20 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide is sourced from PubChem (CID 61031479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).