N-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide

C15H23FN2O — CID 83143170

IUPACN-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide
SMILESCC(CNCC(=O)Nc1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C15H23FN2O/c1-11(15(2,3)4)9-17-10-14(19)18-13-7-5-12(16)6-8-13/h5-8,11,17H,9-10H2,1-4H3,(H,18,19)
InChIKeySGCBEADTDPNFIM-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.04
Rot. Bonds5

About N-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide

N-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide (PubChem CID 83143170) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide
PubChem CID83143170
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide
SMILESCC(CNCC(=O)Nc1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C15H23FN2O/c1-11(15(2,3)4)9-17-10-14(19)18-13-7-5-12(16)6-8-13/h5-8,11,17H,9-10H2,1-4H3,(H,18,19)
InChIKeySGCBEADTDPNFIM-UHFFFAOYSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide
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CID 54813431
N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
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2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 108997765
N-(4-fluorophenyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
CID 62642513
2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
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N-[2-(4-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
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CID 106246982

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide (CID 83143170) is N-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide is CC(CNCC(=O)Nc1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of N-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide?
The InChIKey is SGCBEADTDPNFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(15(2,3)4)9-17-10-14(19)18-13-7-5-12(16)6-8-13/h5-8,11,17H,9-10H2,1-4H3,(H,18,19).
What are the key properties of N-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide?
N-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide has a molecular weight of 266.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide is sourced from PubChem (CID 83143170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).