N-[3-[1-[(3-fluoro-4-methylphenyl)methylamino]ethyl]phenyl]acetamide

C18H21FN2O — CID 119126610

IUPACN-[3-[1-[(3-fluoro-4-methylphenyl)methylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCc2ccc(C)c(F)c2)c1
InChIInChI=1S/C18H21FN2O/c1-12-7-8-15(9-18(12)19)11-20-13(2)16-5-4-6-17(10-16)21-14(3)22/h4-10,13,20H,11H2,1-3H3,(H,21,22)
InChIKeySAYYPPOJYYUXHK-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.94
Rot. Bonds5

About N-[3-[1-[(3-fluoro-4-methylphenyl)methylamino]ethyl]phenyl]acetamide

N-[3-[1-[(3-fluoro-4-methylphenyl)methylamino]ethyl]phenyl]acetamide (PubChem CID 119126610) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[3-[1-[(3-fluoro-4-methylphenyl)methylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(3-fluoro-4-methylphenyl)methylamino]ethyl]phenyl]acetamide
PubChem CID119126610
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC NameN-[3-[1-[(3-fluoro-4-methylphenyl)methylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCc2ccc(C)c(F)c2)c1
InChIInChI=1S/C18H21FN2O/c1-12-7-8-15(9-18(12)19)11-20-13(2)16-5-4-6-17(10-16)21-14(3)22/h4-10,13,20H,11H2,1-3H3,(H,21,22)
InChIKeySAYYPPOJYYUXHK-UHFFFAOYSA-N
XLogP3.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[1-[[4-(methylamino)-3-nitrophenyl]methylamino]ethyl]phenyl]acetamide
CID 56822875
N-[3-[(1R)-1-[[4-(methylamino)-3-nitrophenyl]methylamino]ethyl]phenyl]acetamide
CID 95567466
N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
CID 54880370
2-fluoro-4-[[1-(3-fluorophenyl)ethylamino]methyl]benzoic acid
CID 106699898
N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide
CID 62309945
N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide
CID 103779662
N-[3-[1-(5-hydroxypentylamino)ethyl]phenyl]acetamide
CID 55053195
N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 63646240
N-[3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]acetamide
CID 43210210
N-[3-[(1R)-1-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methylamino]ethyl]phenyl]acetamide
CID 97323540
N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 63645700
(1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365762

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(3-fluoro-4-methylphenyl)methylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(3-fluoro-4-methylphenyl)methylamino]ethyl]phenyl]acetamide (CID 119126610) is N-[3-[1-[(3-fluoro-4-methylphenyl)methylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(3-fluoro-4-methylphenyl)methylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(3-fluoro-4-methylphenyl)methylamino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NCc2ccc(C)c(F)c2)c1.
What is the InChIKey of N-[3-[1-[(3-fluoro-4-methylphenyl)methylamino]ethyl]phenyl]acetamide?
The InChIKey is SAYYPPOJYYUXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-12-7-8-15(9-18(12)19)11-20-13(2)16-5-4-6-17(10-16)21-14(3)22/h4-10,13,20H,11H2,1-3H3,(H,21,22).
What are the key properties of N-[3-[1-[(3-fluoro-4-methylphenyl)methylamino]ethyl]phenyl]acetamide?
N-[3-[1-[(3-fluoro-4-methylphenyl)methylamino]ethyl]phenyl]acetamide has a molecular weight of 300.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(3-fluoro-4-methylphenyl)methylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 119126610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).