3-(2-aminophenyl)-N-(3-chloro-5-fluorophenyl)propanamide

C15H14ClFN2O — CID 107365916

IUPAC3-(2-aminophenyl)-N-(3-chloro-5-fluorophenyl)propanamide
SMILESNc1ccccc1CCC(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C15H14ClFN2O/c16-11-7-12(17)9-13(8-11)19-15(20)6-5-10-3-1-2-4-14(10)18/h1-4,7-9H,5-6,18H2,(H,19,20)
InChIKeyLDTWGIUNOJPIPG-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.63
Rot. Bonds4

About 3-(2-aminophenyl)-N-(3-chloro-5-fluorophenyl)propanamide

3-(2-aminophenyl)-N-(3-chloro-5-fluorophenyl)propanamide (PubChem CID 107365916) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(3-chloro-5-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(3-chloro-5-fluorophenyl)propanamide
PubChem CID107365916
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name3-(2-aminophenyl)-N-(3-chloro-5-fluorophenyl)propanamide
SMILESNc1ccccc1CCC(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C15H14ClFN2O/c16-11-7-12(17)9-13(8-11)19-15(20)6-5-10-3-1-2-4-14(10)18/h1-4,7-9H,5-6,18H2,(H,19,20)
InChIKeyLDTWGIUNOJPIPG-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.63
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

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CID 28714073
3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
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3-[3-(2-aminophenyl)propanoylamino]benzoic acid
CID 107272917
3-(2-aminophenoxy)-N-(3,5-difluorophenyl)propanamide
CID 61092470
3-(2-aminophenyl)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240805
3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide
CID 43309199
3-(2-aminophenyl)-N-[4-(3,3,3-trifluoropropyl)phenyl]propanamide
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3-(2-aminophenyl)-N-(3-bromo-5-methoxyphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(3-chloro-5-fluorophenyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(3-chloro-5-fluorophenyl)propanamide (CID 107365916) is 3-(2-aminophenyl)-N-(3-chloro-5-fluorophenyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(3-chloro-5-fluorophenyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(3-chloro-5-fluorophenyl)propanamide is Nc1ccccc1CCC(=O)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-(3-chloro-5-fluorophenyl)propanamide?
The InChIKey is LDTWGIUNOJPIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-11-7-12(17)9-13(8-11)19-15(20)6-5-10-3-1-2-4-14(10)18/h1-4,7-9H,5-6,18H2,(H,19,20).
What are the key properties of 3-(2-aminophenyl)-N-(3-chloro-5-fluorophenyl)propanamide?
3-(2-aminophenyl)-N-(3-chloro-5-fluorophenyl)propanamide has a molecular weight of 292.74 g/mol, XLogP of 3.63, 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-(3-chloro-5-fluorophenyl)propanamide is sourced from PubChem (CID 107365916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).