2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide

C13H17Cl2FN2O — CID 43226363

IUPAC2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2FN2O/c1-4-17-13(19)8(3)18-7(2)9-5-12(16)11(15)6-10(9)14/h5-8,18H,4H2,1-3H3,(H,17,19)
InChIKeyJIXXMKJAMFAQJI-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.31
Rot. Bonds5

About 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide

2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide (PubChem CID 43226363) has the molecular formula C13H17Cl2FN2O and a molecular weight of 307.20 g/mol. Its IUPAC name is 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide
PubChem CID43226363
Molecular FormulaC13H17Cl2FN2O
Molecular Weight307.20 g/mol
Exact Mass306.07
IUPAC Name2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2FN2O/c1-4-17-13(19)8(3)18-7(2)9-5-12(16)11(15)6-10(9)14/h5-8,18H,4H2,1-3H3,(H,17,19)
InChIKeyJIXXMKJAMFAQJI-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-carbamoyl-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]propanamide
CID 8639441
[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 8639633
N-ethyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide
CID 43574139
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide
CID 81352154
2-[1-(2,5-dichlorophenyl)ethylamino]-N-(2-methylpropyl)propanamide
CID 115597077
methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate
CID 43228865
2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 9377861
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8639848
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide
CID 112799664
(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]propan-1-one
CID 8639901
N-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide
CID 43574263
3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785501

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide?
The IUPAC name of 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide (CID 43226363) is 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide is CCNC(=O)C(C)NC(C)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide?
The InChIKey is JIXXMKJAMFAQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2FN2O/c1-4-17-13(19)8(3)18-7(2)9-5-12(16)11(15)6-10(9)14/h5-8,18H,4H2,1-3H3,(H,17,19).
What are the key properties of 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide?
2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide has a molecular weight of 307.20 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide is sourced from PubChem (CID 43226363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).