N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide

C16H17FN2O2 — CID 63209631

IUPACN-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCCOc2ccccc2N)ccc1F
InChIInChI=1S/C16H17FN2O2/c1-11-10-12(6-7-13(11)17)16(20)19-8-9-21-15-5-3-2-4-14(15)18/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyQQGKRKBRTAKENQ-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.53
Rot. Bonds5

About N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide

N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide (PubChem CID 63209631) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide
PubChem CID63209631
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCCOc2ccccc2N)ccc1F
InChIInChI=1S/C16H17FN2O2/c1-11-10-12(6-7-13(11)17)16(20)19-8-9-21-15-5-3-2-4-14(15)18/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyQQGKRKBRTAKENQ-UHFFFAOYSA-N
XLogP2.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.53
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

3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 113099201
N-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide
CID 107702196
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
N-[2-(2-aminophenoxy)ethyl]-2,3,4-trifluorobenzamide
CID 39447567
N-(3-aminopropyl)-4-fluoro-3-methylbenzamide
CID 63208781
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide
CID 78995301
2-(2-aminophenoxy)ethylcarbamic acid
CID 70087941
4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide
CID 63213455
N-(4-chlorobutyl)-4-fluoro-3-methylbenzamide
CID 106845201
N-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 81315195
N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18289079
4-[2-(2-fluorophenoxy)ethylamino]-3-methyl-N-(2-methylpropyl)benzamide
CID 60606761

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide?
The IUPAC name of N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide (CID 63209631) is N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NCCOc2ccccc2N)ccc1F.
What is the InChIKey of N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide?
The InChIKey is QQGKRKBRTAKENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11-10-12(6-7-13(11)17)16(20)19-8-9-21-15-5-3-2-4-14(15)18/h2-7,10H,8-9,18H2,1H3,(H,19,20).
What are the key properties of N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide?
N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide has a molecular weight of 288.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 63209631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).