3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide

C16H17FN2O — CID 43309199

IUPAC3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2ccccc2N)c(F)c1
InChIInChI=1S/C16H17FN2O/c1-11-6-8-15(13(17)10-11)19-16(20)9-7-12-4-2-3-5-14(12)18/h2-6,8,10H,7,9,18H2,1H3,(H,19,20)
InChIKeyLMDMNPZBGPDOQE-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.29
Rot. Bonds4

About 3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide

3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide (PubChem CID 43309199) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide
PubChem CID43309199
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2ccccc2N)c(F)c1
InChIInChI=1S/C16H17FN2O/c1-11-6-8-15(13(17)10-11)19-16(20)9-7-12-4-2-3-5-14(12)18/h2-6,8,10H,7,9,18H2,1H3,(H,19,20)
InChIKeyLMDMNPZBGPDOQE-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide
CID 28714073
3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide
CID 107273233
3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
CID 120609694
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886
3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 107272746
3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide
CID 43309208
4-(2-fluoro-4-methylanilino)-4-oxobutanoic acid
CID 43396222
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
3-(2-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide
CID 63670710
3-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide
CID 120609491
4-[3-(2-aminophenyl)propanoylamino]-3-methyl-N-propan-2-ylbenzamide
CID 120609602
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide (CID 43309199) is 3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCc2ccccc2N)c(F)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide?
The InChIKey is LMDMNPZBGPDOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-6-8-15(13(17)10-11)19-16(20)9-7-12-4-2-3-5-14(12)18/h2-6,8,10H,7,9,18H2,1H3,(H,19,20).
What are the key properties of 3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide?
3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide has a molecular weight of 272.32 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 43309199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).