2-(3-aminophenyl)-N-(2-chloro-6-fluorophenyl)propanamide

C15H14ClFN2O — CID 106591868

IUPAC2-(3-aminophenyl)-N-(2-chloro-6-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1c(F)cccc1Cl)c1cccc(N)c1
InChIInChI=1S/C15H14ClFN2O/c1-9(10-4-2-5-11(18)8-10)15(20)19-14-12(16)6-3-7-13(14)17/h2-9H,18H2,1H3,(H,19,20)
InChIKeyQGKQRXUIULHJDV-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.80
Rot. Bonds3

About 2-(3-aminophenyl)-N-(2-chloro-6-fluorophenyl)propanamide

2-(3-aminophenyl)-N-(2-chloro-6-fluorophenyl)propanamide (PubChem CID 106591868) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(2-chloro-6-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(2-chloro-6-fluorophenyl)propanamide
PubChem CID106591868
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name2-(3-aminophenyl)-N-(2-chloro-6-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1c(F)cccc1Cl)c1cccc(N)c1
InChIInChI=1S/C15H14ClFN2O/c1-9(10-4-2-5-11(18)8-10)15(20)19-14-12(16)6-3-7-13(14)17/h2-9H,18H2,1H3,(H,19,20)
InChIKeyQGKQRXUIULHJDV-UHFFFAOYSA-N
XLogP3.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.80
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

2-(3-aminophenyl)-N-(2-chloro-6-methylphenyl)propanamide
CID 106591588
2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 106590705
(2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide
CID 104877858
3-(2-chloro-6-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114899076
2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide
CID 106590704
2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 106590796
2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide
CID 106590860
2-(3-aminophenyl)-N-(4-methylphenyl)propanamide
CID 106590701
2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 106590698
(2R)-2-amino-N-(2-chloro-6-fluorophenyl)pentanamide
CID 107570747
N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 43297617
2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide
CID 106590702

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(2-chloro-6-fluorophenyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(2-chloro-6-fluorophenyl)propanamide (CID 106591868) is 2-(3-aminophenyl)-N-(2-chloro-6-fluorophenyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(2-chloro-6-fluorophenyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(2-chloro-6-fluorophenyl)propanamide is CC(C(=O)Nc1c(F)cccc1Cl)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(2-chloro-6-fluorophenyl)propanamide?
The InChIKey is QGKQRXUIULHJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-9(10-4-2-5-11(18)8-10)15(20)19-14-12(16)6-3-7-13(14)17/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of 2-(3-aminophenyl)-N-(2-chloro-6-fluorophenyl)propanamide?
2-(3-aminophenyl)-N-(2-chloro-6-fluorophenyl)propanamide has a molecular weight of 292.74 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(2-chloro-6-fluorophenyl)propanamide is sourced from PubChem (CID 106591868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).