N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-benzylacetamide

C23H28F2N2O — CID 53318863

IUPACN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-benzylacetamide
SMILESCC(=O)N(Cc1ccccc1)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C23H28F2N2O/c1-16(28)27(15-17-5-3-2-4-6-17)21-10-7-18(8-11-21)23(26)14-19-13-20(24)9-12-22(19)25/h2-6,9,12-13,18,21,23H,7-8,10-11,14-15,26H2,1H3/t18?,21?,23-/m1/s1
InChIKeyXQDSNDVAQICDHA-PSGUAHCZSA-N
MW386.49 g/mol
LogP4.44
Rot. Bonds6

About N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-benzylacetamide

N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-benzylacetamide (PubChem CID 53318863) has the molecular formula C23H28F2N2O and a molecular weight of 386.49 g/mol. Its IUPAC name is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-benzylacetamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-benzylacetamide
PubChem CID53318863
Molecular FormulaC23H28F2N2O
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-benzylacetamide
SMILESCC(=O)N(Cc1ccccc1)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C23H28F2N2O/c1-16(28)27(15-17-5-3-2-4-6-17)21-10-7-18(8-11-21)23(26)14-19-13-20(24)9-12-22(19)25/h2-6,9,12-13,18,21,23H,7-8,10-11,14-15,26H2,1H3/t18?,21?,23-/m1/s1
InChIKeyXQDSNDVAQICDHA-PSGUAHCZSA-N
XLogP4.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
(1S)-1-Cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-YL]-2-oxoethanamine
CID 6102824
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 24901489
(2S)-N-(3-aminopropyl)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901492
Ksp-IA
CID 24901494
(1S)-1-{[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]carbonyl}-2,2-dimethylpropylamine
CID 24901496
(2E)-3-phenyl-N-(1-phenylethyl)prop-2-enamide
CID 5720182
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851900
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851914
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
Acetamide, N-(alpha-cyclohexylbenzyl)-2-(diethylamino)-
CID 209457

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-benzylacetamide?
The IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-benzylacetamide (CID 53318863) is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-benzylacetamide.
What is the SMILES notation for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-benzylacetamide?
The canonical SMILES for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-benzylacetamide is CC(=O)N(Cc1ccccc1)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1.
What is the InChIKey of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-benzylacetamide?
The InChIKey is XQDSNDVAQICDHA-PSGUAHCZSA-N. The full InChI is InChI=1S/C23H28F2N2O/c1-16(28)27(15-17-5-3-2-4-6-17)21-10-7-18(8-11-21)23(26)14-19-13-20(24)9-12-22(19)25/h2-6,9,12-13,18,21,23H,7-8,10-11,14-15,26H2,1H3/t18?,21?,23-/m1/s1.
What are the key properties of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-benzylacetamide?
N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-benzylacetamide has a molecular weight of 386.49 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-benzylacetamide is sourced from PubChem (CID 53318863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).