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

C13H17Cl2FN2O — CID 103529766

IUPAC5-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]pentanamide
SMILESCC(NCCCCC(N)=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2FN2O/c1-8(18-5-3-2-4-13(17)19)9-6-12(16)11(15)7-10(9)14/h6-8,18H,2-5H2,1H3,(H2,17,19)
InChIKeySQJHJPAAIDMYEE-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.44
Rot. Bonds7

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

5-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]pentanamide (PubChem CID 103529766) has the molecular formula C13H17Cl2FN2O and a molecular weight of 307.20 g/mol. Its IUPAC name is 5-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]pentanamide.

Molecular Properties

Compound Name5-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]pentanamide
PubChem CID103529766
Molecular FormulaC13H17Cl2FN2O
Molecular Weight307.20 g/mol
Exact Mass306.07
IUPAC Name5-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]pentanamide
SMILESCC(NCCCCC(N)=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2FN2O/c1-8(18-5-3-2-4-13(17)19)9-6-12(16)11(15)7-10(9)14/h6-8,18H,2-5H2,1H3,(H2,17,19)
InChIKeySQJHJPAAIDMYEE-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]butanoic acid
CID 60782893
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]butan-1-ol
CID 106840626
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]octan-1-amine
CID 115566984
2-[[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]acetamide
CID 8639839
7-amino-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]heptanamide;hydrochloride
CID 119686390
N-[2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706405
methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate
CID 43228865
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-ethenoxypropan-1-amine
CID 43771248
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119686394
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
3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-methylpropan-1-ol
CID 65032240

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]pentanamide?
The IUPAC name of 5-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]pentanamide (CID 103529766) is 5-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]pentanamide.
What is the SMILES notation for 5-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]pentanamide?
The canonical SMILES for 5-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]pentanamide is CC(NCCCCC(N)=O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 5-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]pentanamide?
The InChIKey is SQJHJPAAIDMYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2FN2O/c1-8(18-5-3-2-4-13(17)19)9-6-12(16)11(15)7-10(9)14/h6-8,18H,2-5H2,1H3,(H2,17,19).
What are the key properties of 5-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]pentanamide?
5-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]pentanamide has a molecular weight of 307.20 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]pentanamide is sourced from PubChem (CID 103529766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).