N-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide

C24H29F3N2O — CID 154663570

IUPACN-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide
SMILESNc1cc(CCc2ccc(C(F)(F)F)cc2)ccc1NC(=O)CCC1CCCCC1
InChIInChI=1S/C24H29F3N2O/c25-24(26,27)20-12-8-18(9-13-20)6-7-19-10-14-22(21(28)16-19)29-23(30)15-11-17-4-2-1-3-5-17/h8-10,12-14,16-17H,1-7,11,15,28H2,(H,29,30)
InChIKeyXTBKZGYVZRVCKN-UHFFFAOYSA-N
MW418.50 g/mol
LogP6.37
Rot. Bonds7

About N-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide

N-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide (PubChem CID 154663570) has the molecular formula C24H29F3N2O and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide
PubChem CID154663570
Molecular FormulaC24H29F3N2O
Molecular Weight418.50 g/mol
Exact Mass418.22
IUPAC NameN-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide
SMILESNc1cc(CCc2ccc(C(F)(F)F)cc2)ccc1NC(=O)CCC1CCCCC1
InChIInChI=1S/C24H29F3N2O/c25-24(26,27)20-12-8-18(9-13-20)6-7-19-10-14-22(21(28)16-19)29-23(30)15-11-17-4-2-1-3-5-17/h8-10,12-14,16-17H,1-7,11,15,28H2,(H,29,30)
InChIKeyXTBKZGYVZRVCKN-UHFFFAOYSA-N
XLogP6.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2,4-difluorophenyl)-3-cyclohexylpropanamide
CID 43549850
N-[4-(2-aminoethyl)phenyl]-3-cyclohexylpropanamide
CID 62302187
3-cyclohexyl-N-[2-(diethylamino)-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanamide
CID 154663584
N-[2-amino-4-(trifluoromethyl)phenyl]-3-cyclobutyloxypropanamide
CID 62116305
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide
CID 106199882
N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide
CID 43130499
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide
CID 154663741
3,4-bis(3-cyclohexylpropanoylamino)benzoate
CID 7309256
N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]-7-(4-fluorophenyl)heptanamide
CID 154663608
3-cyclopentyl-N-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propanamide
CID 90940134
2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55447256

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide?
The IUPAC name of N-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide (CID 154663570) is N-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide is Nc1cc(CCc2ccc(C(F)(F)F)cc2)ccc1NC(=O)CCC1CCCCC1.
What is the InChIKey of N-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide?
The InChIKey is XTBKZGYVZRVCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O/c25-24(26,27)20-12-8-18(9-13-20)6-7-19-10-14-22(21(28)16-19)29-23(30)15-11-17-4-2-1-3-5-17/h8-10,12-14,16-17H,1-7,11,15,28H2,(H,29,30).
What are the key properties of N-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide?
N-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide has a molecular weight of 418.50 g/mol, XLogP of 6.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide is sourced from PubChem (CID 154663570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).