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

C14H17Cl2FN2O — CID 115706405

IUPACN-[2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
SMILESCC(NCCNC(=O)C1CC1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2FN2O/c1-8(10-6-13(17)12(16)7-11(10)15)18-4-5-19-14(20)9-2-3-9/h6-9,18H,2-5H2,1H3,(H,19,20)
InChIKeyPWEFHXJVKUHLPA-UHFFFAOYSA-N
MW319.21 g/mol
LogP3.31
Rot. Bonds6

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

N-[2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]ethyl]cyclopropanecarboxamide (PubChem CID 115706405) has the molecular formula C14H17Cl2FN2O and a molecular weight of 319.21 g/mol. Its IUPAC name is N-[2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
PubChem CID115706405
Molecular FormulaC14H17Cl2FN2O
Molecular Weight319.21 g/mol
Exact Mass318.07
IUPAC NameN-[2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
SMILESCC(NCCNC(=O)C1CC1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2FN2O/c1-8(10-6-13(17)12(16)7-11(10)15)18-4-5-19-14(20)9-2-3-9/h6-9,18H,2-5H2,1H3,(H,19,20)
InChIKeyPWEFHXJVKUHLPA-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 53.31
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

N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113219502
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]butanoic acid
CID 60782893
N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]oxane-4-carboxamide
CID 30972064
5-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]pentanamide
CID 103529766
N-(2-cyclohexylethyl)-1-(2,4-dichloro-5-fluorophenyl)ethanamine
CID 63450527
N-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113383761
N'-cyclopropyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62975546
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]butan-1-ol
CID 106840626
methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate
CID 43228865
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8639848
2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 9377861
2-[[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]acetamide
CID 8639839

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]ethyl]cyclopropanecarboxamide (CID 115706405) is N-[2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]ethyl]cyclopropanecarboxamide is CC(NCCNC(=O)C1CC1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of N-[2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is PWEFHXJVKUHLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2FN2O/c1-8(10-6-13(17)12(16)7-11(10)15)18-4-5-19-14(20)9-2-3-9/h6-9,18H,2-5H2,1H3,(H,19,20).
What are the key properties of N-[2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]ethyl]cyclopropanecarboxamide?
N-[2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 319.21 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115706405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).