2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide

C15H23FN2O — CID 60694421

IUPAC2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(NCC(=O)NC(C)C(C)C)c1cccc(F)c1
InChIInChI=1S/C15H23FN2O/c1-10(2)11(3)18-15(19)9-17-12(4)13-6-5-7-14(16)8-13/h5-8,10-12,17H,9H2,1-4H3,(H,18,19)
InChIKeyMXNDPFKGFLCNSX-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.64
Rot. Bonds6

About 2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide

2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 60694421) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide
PubChem CID60694421
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(NCC(=O)NC(C)C(C)C)c1cccc(F)c1
InChIInChI=1S/C15H23FN2O/c1-10(2)11(3)18-15(19)9-17-12(4)13-6-5-7-14(16)8-13/h5-8,10-12,17H,9H2,1-4H3,(H,18,19)
InChIKeyMXNDPFKGFLCNSX-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide
CID 60674328
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 94018256
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81365357
N-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352967
N-(2-chlorophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352559
N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352151
2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide
CID 60696807
N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
butyl 2-[1-(3-fluorophenyl)ethylamino]acetate
CID 60680451
2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine
CID 81365572
2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81365784
2-[1-(3-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 42914238

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide (CID 60694421) is 2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide is CC(NCC(=O)NC(C)C(C)C)c1cccc(F)c1.
What is the InChIKey of 2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is MXNDPFKGFLCNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10(2)11(3)18-15(19)9-17-12(4)13-6-5-7-14(16)8-13/h5-8,10-12,17H,9H2,1-4H3,(H,18,19).
What are the key properties of 2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide?
2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 266.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 60694421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).