N-(3-amino-2-methylphenyl)-2-(3-fluorophenoxy)propanamide

C16H17FN2O2 — CID 16784463

IUPACN-(3-amino-2-methylphenyl)-2-(3-fluorophenoxy)propanamide
SMILESCc1c(N)cccc1NC(=O)C(C)Oc1cccc(F)c1
InChIInChI=1S/C16H17FN2O2/c1-10-14(18)7-4-8-15(10)19-16(20)11(2)21-13-6-3-5-12(17)9-13/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyHWRMFFHVXSRADV-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.12
Rot. Bonds4

About N-(3-amino-2-methylphenyl)-2-(3-fluorophenoxy)propanamide

N-(3-amino-2-methylphenyl)-2-(3-fluorophenoxy)propanamide (PubChem CID 16784463) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-(3-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-(3-fluorophenoxy)propanamide
PubChem CID16784463
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-(3-amino-2-methylphenyl)-2-(3-fluorophenoxy)propanamide
SMILESCc1c(N)cccc1NC(=O)C(C)Oc1cccc(F)c1
InChIInChI=1S/C16H17FN2O2/c1-10-14(18)7-4-8-15(10)19-16(20)11(2)21-13-6-3-5-12(17)9-13/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyHWRMFFHVXSRADV-UHFFFAOYSA-N
XLogP3.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methylphenyl)-2-(4-iodophenoxy)propanamide
CID 43327286
N-(2-ethylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86918484
2-(3-fluorophenoxy)-N-[2-(hydroxymethyl)phenyl]propanamide
CID 61497915
N-(2-amino-4-fluorophenyl)-2-phenoxypropanamide
CID 16789399
N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86986176
N-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 43554689
(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733033
(2R)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733032
N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 78762135
(2R)-N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2640909
N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931110
N-(2-aminophenyl)-2-(2,5-difluorophenoxy)propanamide
CID 63269106

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-(3-fluorophenoxy)propanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-(3-fluorophenoxy)propanamide (CID 16784463) is N-(3-amino-2-methylphenyl)-2-(3-fluorophenoxy)propanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-(3-fluorophenoxy)propanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-(3-fluorophenoxy)propanamide is Cc1c(N)cccc1NC(=O)C(C)Oc1cccc(F)c1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-(3-fluorophenoxy)propanamide?
The InChIKey is HWRMFFHVXSRADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-14(18)7-4-8-15(10)19-16(20)11(2)21-13-6-3-5-12(17)9-13/h3-9,11H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(3-amino-2-methylphenyl)-2-(3-fluorophenoxy)propanamide?
N-(3-amino-2-methylphenyl)-2-(3-fluorophenoxy)propanamide has a molecular weight of 288.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-(3-fluorophenoxy)propanamide is sourced from PubChem (CID 16784463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).