2-amino-N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride

C20H23Cl2FN2O2 — CID 120795791

IUPAC2-amino-N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1F)C1CCOCC1
InChIInChI=1S/C20H22ClFN2O2.ClH/c21-17-5-3-13(4-6-17)15-1-2-16(18(22)11-15)12-24-20(25)19(23)14-7-9-26-10-8-14;/h1-6,11,14,19H,7-10,12,23H2,(H,24,25);1H
InChIKeyFOVXMHLGMIJQON-UHFFFAOYSA-N
MW413.32 g/mol
LogP3.94
Rot. Bonds5

About 2-amino-N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120795791) has the molecular formula C20H23Cl2FN2O2 and a molecular weight of 413.32 g/mol. Its IUPAC name is 2-amino-N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120795791
Molecular FormulaC20H23Cl2FN2O2
Molecular Weight413.32 g/mol
Exact Mass412.11
IUPAC Name2-amino-N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1F)C1CCOCC1
InChIInChI=1S/C20H22ClFN2O2.ClH/c21-17-5-3-13(4-6-17)15-1-2-16(18(22)11-15)12-24-20(25)19(23)14-7-9-26-10-8-14;/h1-6,11,14,19H,7-10,12,23H2,(H,24,25);1H
InChIKeyFOVXMHLGMIJQON-UHFFFAOYSA-N
XLogP3.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783069
2-amino-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793827
N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride
CID 120785571
2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787921
2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120795550
2-amino-N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785705
2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786171
(3S)-3-[(4-chloro-2-fluorophenyl)methylamino]-3-(oxan-4-yl)propanamide
CID 99827410
2-amino-N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]-4-methylsulfanylbutanamide
CID 119340498
2-amino-N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120801004
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
CID 120786959
2-amino-N-[2-(2,6-dichlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789587

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120795791) is 2-amino-N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1F)C1CCOCC1.
What is the InChIKey of 2-amino-N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is FOVXMHLGMIJQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2.ClH/c21-17-5-3-13(4-6-17)15-1-2-16(18(22)11-15)12-24-20(25)19(23)14-7-9-26-10-8-14;/h1-6,11,14,19H,7-10,12,23H2,(H,24,25);1H.
What are the key properties of 2-amino-N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 413.32 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120795791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).