N-[2-(3-aminophenoxy)ethyl]-3-chloro-4-fluorobenzamide

C15H14ClFN2O2 — CID 82874414

IUPACN-[2-(3-aminophenoxy)ethyl]-3-chloro-4-fluorobenzamide
SMILESNc1cccc(OCCNC(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H14ClFN2O2/c16-13-8-10(4-5-14(13)17)15(20)19-6-7-21-12-3-1-2-11(18)9-12/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyBYYODCUJFMHDFP-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.87
Rot. Bonds5

About N-[2-(3-aminophenoxy)ethyl]-3-chloro-4-fluorobenzamide

N-[2-(3-aminophenoxy)ethyl]-3-chloro-4-fluorobenzamide (PubChem CID 82874414) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is N-[2-(3-aminophenoxy)ethyl]-3-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(3-aminophenoxy)ethyl]-3-chloro-4-fluorobenzamide
PubChem CID82874414
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC NameN-[2-(3-aminophenoxy)ethyl]-3-chloro-4-fluorobenzamide
SMILESNc1cccc(OCCNC(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H14ClFN2O2/c16-13-8-10(4-5-14(13)17)15(20)19-6-7-21-12-3-1-2-11(18)9-12/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyBYYODCUJFMHDFP-UHFFFAOYSA-N
XLogP2.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide
CID 61031492
N-[2-(3-aminophenoxy)ethyl]-3,5-dihydroxybenzamide
CID 107702195
N-[2-(3-aminophenoxy)ethyl]-5-bromo-2-fluorobenzamide
CID 61030857
3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide
CID 110764723
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
CID 92748915
3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620
N-[2-(3-aminophenoxy)ethyl]-2-bromo-4-fluorobenzamide
CID 61032515
N-[2-(3-aminophenoxy)ethyl]-2-chloro-5-nitrobenzamide
CID 139950400
N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide
CID 39373072
4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide
CID 63185424

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenoxy)ethyl]-3-chloro-4-fluorobenzamide?
The IUPAC name of N-[2-(3-aminophenoxy)ethyl]-3-chloro-4-fluorobenzamide (CID 82874414) is N-[2-(3-aminophenoxy)ethyl]-3-chloro-4-fluorobenzamide.
What is the SMILES notation for N-[2-(3-aminophenoxy)ethyl]-3-chloro-4-fluorobenzamide?
The canonical SMILES for N-[2-(3-aminophenoxy)ethyl]-3-chloro-4-fluorobenzamide is Nc1cccc(OCCNC(=O)c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-[2-(3-aminophenoxy)ethyl]-3-chloro-4-fluorobenzamide?
The InChIKey is BYYODCUJFMHDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-13-8-10(4-5-14(13)17)15(20)19-6-7-21-12-3-1-2-11(18)9-12/h1-5,8-9H,6-7,18H2,(H,19,20).
What are the key properties of N-[2-(3-aminophenoxy)ethyl]-3-chloro-4-fluorobenzamide?
N-[2-(3-aminophenoxy)ethyl]-3-chloro-4-fluorobenzamide has a molecular weight of 308.74 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminophenoxy)ethyl]-3-chloro-4-fluorobenzamide is sourced from PubChem (CID 82874414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).