N-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

C18H22F4N2O — CID 137422504

IUPACN-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESNC1CCC(F)(CN(C(=O)C(F)(F)F)[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C18H22F4N2O/c19-17(8-6-13(23)7-9-17)11-24(16(25)18(20,21)22)15-10-14(15)12-4-2-1-3-5-12/h1-5,13-15H,6-11,23H2/t13?,14-,15+,17?/m0/s1
InChIKeyLBSXGNQCWVEUPK-KRIMKBQASA-N
MW358.38 g/mol
LogP3.54
Rot. Bonds4

About N-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

N-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (PubChem CID 137422504) has the molecular formula C18H22F4N2O and a molecular weight of 358.38 g/mol. Its IUPAC name is N-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.

Molecular Properties

Compound NameN-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
PubChem CID137422504
Molecular FormulaC18H22F4N2O
Molecular Weight358.38 g/mol
Exact Mass358.17
IUPAC NameN-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESNC1CCC(F)(CN(C(=O)C(F)(F)F)[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C18H22F4N2O/c19-17(8-6-13(23)7-9-17)11-24(16(25)18(20,21)22)15-10-14(15)12-4-2-1-3-5-12/h1-5,13-15H,6-11,23H2/t13?,14-,15+,17?/m0/s1
InChIKeyLBSXGNQCWVEUPK-KRIMKBQASA-N
XLogP3.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide with MolForge

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Related Compounds

N-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-(2-phenylcyclopropyl)acetamide;hydrochloride
CID 155277847
N-[(4-amino-1-fluorocyclohexyl)methyl]-N-(2-phenylcyclopropyl)acetamide;hydrochloride
CID 158484291
2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide
CID 118297906
N-(azetidin-3-ylmethyl)-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide;2,2,2-trifluoroacetic acid
CID 131743401
2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-(2-phenylcyclopropyl)acetamide
CID 88962081
2,2,2-trifluoro-N-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 172759348
N-[[4-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 118290147
2,2,2-trifluoro-N-[[4-[(3-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide;hydrochloride
CID 118290291
N-[[4-[(3-cyanophenyl)methyl]piperidin-4-yl]methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 118290175
methyl 1-[[[(1S,2R)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-4-carboxylate
CID 140830913
2,2,2-trifluoro-N-[[4-(methoxymethyl)-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 118290237
methyl 1-[[4-(methoxymethyl)-4-[[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]methyl]piperidin-1-yl]methyl]cyclopropane-1-carboxylate
CID 118290821

Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The IUPAC name of N-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (CID 137422504) is N-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.
What is the SMILES notation for N-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The canonical SMILES for N-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is NC1CCC(F)(CN(C(=O)C(F)(F)F)[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of N-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The InChIKey is LBSXGNQCWVEUPK-KRIMKBQASA-N. The full InChI is InChI=1S/C18H22F4N2O/c19-17(8-6-13(23)7-9-17)11-24(16(25)18(20,21)22)15-10-14(15)12-4-2-1-3-5-12/h1-5,13-15H,6-11,23H2/t13?,14-,15+,17?/m0/s1.
What are the key properties of N-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
N-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide has a molecular weight of 358.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is sourced from PubChem (CID 137422504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).