1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide

C18H22ClF3N2O2 — CID 109144626

IUPAC1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
SMILESCC(C)NC(=O)C1CCC(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1
InChIInChI=1S/C18H22ClF3N2O2/c1-10(2)23-16(25)11-3-5-12(6-4-11)17(26)24-15-8-7-13(19)9-14(15)18(20,21)22/h7-12H,3-6H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGZEFWHVCIDXJQQ-UHFFFAOYSA-N
MW390.83 g/mol
LogP4.63
Rot. Bonds4

About 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide

1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide (PubChem CID 109144626) has the molecular formula C18H22ClF3N2O2 and a molecular weight of 390.83 g/mol. Its IUPAC name is 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
PubChem CID109144626
Molecular FormulaC18H22ClF3N2O2
Molecular Weight390.83 g/mol
Exact Mass390.13
IUPAC Name1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
SMILESCC(C)NC(=O)C1CCC(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1
InChIInChI=1S/C18H22ClF3N2O2/c1-10(2)23-16(25)11-3-5-12(6-4-11)17(26)24-15-8-7-13(19)9-14(15)18(20,21)22/h7-12H,3-6H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGZEFWHVCIDXJQQ-UHFFFAOYSA-N
XLogP4.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144629
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 113008466
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687206
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 110682207
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide
CID 107067123
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144561
1-[1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119908250
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588
1-[1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55815880
N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]cyclobutanecarboxamide
CID 113036586
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide (CID 109144626) is 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide is CC(C)NC(=O)C1CCC(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1.
What is the InChIKey of 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The InChIKey is GZEFWHVCIDXJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClF3N2O2/c1-10(2)23-16(25)11-3-5-12(6-4-11)17(26)24-15-8-7-13(19)9-14(15)18(20,21)22/h7-12H,3-6H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide has a molecular weight of 390.83 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).