2-[(2,5-difluorophenyl)methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

C18H20F2N2O — CID 95126403

IUPAC2-[(2,5-difluorophenyl)methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)CNCc2cc(F)ccc2F)cc1
InChIInChI=1S/C18H20F2N2O/c1-12-3-5-14(6-4-12)13(2)22-18(23)11-21-10-15-9-16(19)7-8-17(15)20/h3-9,13,21H,10-11H2,1-2H3,(H,22,23)/t13-/m0/s1
InChIKeyDEPYMOIABDHRDM-ZDUSSCGKSA-N
MW318.37 g/mol
LogP3.24
Rot. Bonds6

About 2-[(2,5-difluorophenyl)methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

2-[(2,5-difluorophenyl)methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (PubChem CID 95126403) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
PubChem CID95126403
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name2-[(2,5-difluorophenyl)methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)CNCc2cc(F)ccc2F)cc1
InChIInChI=1S/C18H20F2N2O/c1-12-3-5-14(6-4-12)13(2)22-18(23)11-21-10-15-9-16(19)7-8-17(15)20/h3-9,13,21H,10-11H2,1-2H3,(H,22,23)/t13-/m0/s1
InChIKeyDEPYMOIABDHRDM-ZDUSSCGKSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(2,5-difluorophenyl)methylamino]acetate
CID 43312522
N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide
CID 115632183
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 119705801
2-[(4-methylphenyl)methylamino]-N-(1-phenylethyl)acetamide
CID 108997021
2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide
CID 46586720
N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914722
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369268
[(2,5-difluorophenyl)methylamino]methanol
CID 115228968
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 7733439

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(2,5-difluorophenyl)methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (CID 95126403) is 2-[(2,5-difluorophenyl)methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2,5-difluorophenyl)methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is Cc1ccc([C@H](C)NC(=O)CNCc2cc(F)ccc2F)cc1.
What is the InChIKey of 2-[(2,5-difluorophenyl)methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is DEPYMOIABDHRDM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-12-3-5-14(6-4-12)13(2)22-18(23)11-21-10-15-9-16(19)7-8-17(15)20/h3-9,13,21H,10-11H2,1-2H3,(H,22,23)/t13-/m0/s1.
What are the key properties of 2-[(2,5-difluorophenyl)methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide?
2-[(2,5-difluorophenyl)methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 318.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 95126403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).