(2S)-2-(2-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-morpholin-4-ylacetamide

C22H24F2N2O2 — CID 97079846

IUPAC(2S)-2-(2-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-morpholin-4-ylacetamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)[C@H](c1ccccc1F)N1CCOCC1
InChIInChI=1S/C22H24F2N2O2/c23-17-7-5-16(6-8-17)22(9-10-22)15-25-21(27)20(26-11-13-28-14-12-26)18-3-1-2-4-19(18)24/h1-8,20H,9-15H2,(H,25,27)/t20-/m0/s1
InChIKeyKKTMLCYINDZXNU-FQEVSTJZSA-N
MW386.44 g/mol
LogP3.19
Rot. Bonds6

About (2S)-2-(2-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-morpholin-4-ylacetamide

(2S)-2-(2-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-morpholin-4-ylacetamide (PubChem CID 97079846) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-morpholin-4-ylacetamide
PubChem CID97079846
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name(2S)-2-(2-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-morpholin-4-ylacetamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)[C@H](c1ccccc1F)N1CCOCC1
InChIInChI=1S/C22H24F2N2O2/c23-17-7-5-16(6-8-17)22(9-10-22)15-25-21(27)20(26-11-13-28-14-12-26)18-3-1-2-4-19(18)24/h1-8,20H,9-15H2,(H,25,27)/t20-/m0/s1
InChIKeyKKTMLCYINDZXNU-FQEVSTJZSA-N
XLogP3.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-morpholin-4-ylacetamide
CID 71927156
2-(2-fluorophenyl)-N-[2-(methylamino)propyl]-2-morpholin-4-ylacetamide
CID 120826501
2-(2-fluorophenyl)-2-morpholin-4-yl-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460909
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111312248
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide
CID 71926685
(2S)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-fluorophenyl)-2-morpholin-4-ylacetamide
CID 97060478
2-morpholin-4-yl-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110446352
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
2-(2-fluorophenyl)-2-morpholin-4-yl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 71927158
(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449958

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-morpholin-4-ylacetamide?
The IUPAC name of (2S)-2-(2-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-morpholin-4-ylacetamide (CID 97079846) is (2S)-2-(2-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for (2S)-2-(2-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for (2S)-2-(2-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-morpholin-4-ylacetamide is O=C(NCC1(c2ccc(F)cc2)CC1)[C@H](c1ccccc1F)N1CCOCC1.
What is the InChIKey of (2S)-2-(2-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-morpholin-4-ylacetamide?
The InChIKey is KKTMLCYINDZXNU-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c23-17-7-5-16(6-8-17)22(9-10-22)15-25-21(27)20(26-11-13-28-14-12-26)18-3-1-2-4-19(18)24/h1-8,20H,9-15H2,(H,25,27)/t20-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-morpholin-4-ylacetamide?
(2S)-2-(2-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-morpholin-4-ylacetamide has a molecular weight of 386.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 97079846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).