N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide

C24H28F3N3O2 — CID 42700449

IUPACN-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide
SMILESCc1ccc(NC(=O)N(CCNC(=O)C2CCCCC2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H28F3N3O2/c1-17-10-12-20(13-11-17)29-23(32)30(21-9-5-8-19(16-21)24(25,26)27)15-14-28-22(31)18-6-3-2-4-7-18/h5,8-13,16,18H,2-4,6-7,14-15H2,1H3,(H,28,31)(H,29,32)
InChIKeyYWLWNGIYHVCFKK-UHFFFAOYSA-N
MW447.50 g/mol
LogP5.75
Rot. Bonds6

About N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide

N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide (PubChem CID 42700449) has the molecular formula C24H28F3N3O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide
PubChem CID42700449
Molecular FormulaC24H28F3N3O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC NameN-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide
SMILESCc1ccc(NC(=O)N(CCNC(=O)C2CCCCC2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H28F3N3O2/c1-17-10-12-20(13-11-17)29-23(32)30(21-9-5-8-19(16-21)24(25,26)27)15-14-28-22(31)18-6-3-2-4-7-18/h5,8-13,16,18H,2-4,6-7,14-15H2,1H3,(H,28,31)(H,29,32)
InChIKeyYWLWNGIYHVCFKK-UHFFFAOYSA-N
XLogP5.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.50
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]acetamide
CID 3891258
N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]-3-(trifluoromethyl)benzamide
CID 42700455
N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]hexanamide
CID 4656137
1-[2-[(2,6-dimethylphenyl)carbamoylamino]ethyl]-3-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]urea
CID 3720684
N-cyclohexyl-2-[N-[2-[(R)-[2-(4-methylanilino)-2-oxoethyl]sulfinyl]acetyl]-3-(trifluoromethyl)anilino]acetamide
CID 98097390
N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide
CID 42707212
1-N-[2-(dimethylamino)ethyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147133
N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]nonanamide
CID 4235291
3-bromo-N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]benzamide
CID 42700426
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
N-[2-[N-[(4-nitrophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]dodecanamide
CID 5199452
N-[2-[4-phenoxy-N-(phenylcarbamoyl)anilino]ethyl]cyclobutanecarboxamide
CID 42708287

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide (CID 42700449) is N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide is Cc1ccc(NC(=O)N(CCNC(=O)C2CCCCC2)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide?
The InChIKey is YWLWNGIYHVCFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O2/c1-17-10-12-20(13-11-17)29-23(32)30(21-9-5-8-19(16-21)24(25,26)27)15-14-28-22(31)18-6-3-2-4-7-18/h5,8-13,16,18H,2-4,6-7,14-15H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide?
N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide has a molecular weight of 447.50 g/mol, XLogP of 5.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 42700449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).