1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide

C18H23F3N2O3 — CID 109146735

IUPAC1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide
SMILESCOCCCNC(=O)C1CCC(C(=O)Nc2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C18H23F3N2O3/c1-26-10-2-9-22-17(24)11-3-5-12(6-4-11)18(25)23-14-8-7-13(19)15(20)16(14)21/h7-8,11-12H,2-6,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyPGYMKICSUHPHJA-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.00
Rot. Bonds7

About 1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide

1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109146735) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is 1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109146735
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC Name1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide
SMILESCOCCCNC(=O)C1CCC(C(=O)Nc2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C18H23F3N2O3/c1-26-10-2-9-22-17(24)11-3-5-12(6-4-11)18(25)23-14-8-7-13(19)15(20)16(14)21/h7-8,11-12H,2-6,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyPGYMKICSUHPHJA-UHFFFAOYSA-N
XLogP3.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-methoxyethyl)-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109133081
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146575
methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754252
4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146590
4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146679
N-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide
CID 78787969
N-[2-(cyclopropanecarbonylamino)ethyl]-2,3,4-trifluorobenzamide
CID 108542400
4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146700
4-(tert-butylsulfonylamino)-N-(2,3,4-trifluorophenyl)cyclohexane-1-carboxamide
CID 20629063
N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide
CID 113218411
1-[(4-chloro-2-fluorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 99826884

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide (CID 109146735) is 1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide is COCCCNC(=O)C1CCC(C(=O)Nc2ccc(F)c(F)c2F)CC1.
What is the InChIKey of 1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is PGYMKICSUHPHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c1-26-10-2-9-22-17(24)11-3-5-12(6-4-11)18(25)23-14-8-7-13(19)15(20)16(14)21/h7-8,11-12H,2-6,9-10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide?
1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 372.39 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109146735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).