2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide

C15H13Cl2FN2O — CID 107574453

IUPAC2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O/c16-11-7-10(8-12(17)14(11)18)20-15(21)13(19)6-9-4-2-1-3-5-9/h1-5,7-8,13H,6,19H2,(H,20,21)
InChIKeyMCLDDBSPVOXKPJ-UHFFFAOYSA-N
MW327.19 g/mol
LogP3.64
Rot. Bonds4

About 2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide

2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide (PubChem CID 107574453) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is 2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide
PubChem CID107574453
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O/c16-11-7-10(8-12(17)14(11)18)20-15(21)13(19)6-9-4-2-1-3-5-9/h1-5,7-8,13H,6,19H2,(H,20,21)
InChIKeyMCLDDBSPVOXKPJ-UHFFFAOYSA-N
XLogP3.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3,5-difluorophenyl)-3-phenylpropanamide
CID 24703610
(2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide
CID 107365994
2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide
CID 156652616
(2S)-2-amino-N-(3-fluorophenyl)-3-phenylpropanamide
CID 22691298
(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)-3-phenylpropanamide
CID 83072762
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride
CID 119283382
3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide
CID 107574522
(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide
CID 78917568
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide
CID 103794914
(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
CID 28976654

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide (CID 107574453) is 2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide is NC(Cc1ccccc1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide?
The InChIKey is MCLDDBSPVOXKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c16-11-7-10(8-12(17)14(11)18)20-15(21)13(19)6-9-4-2-1-3-5-9/h1-5,7-8,13H,6,19H2,(H,20,21).
What are the key properties of 2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide?
2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide has a molecular weight of 327.19 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 107574453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).