3-fluoro-N,N-bis(2-methylpropyl)benzamide

C15H22FNO — CID 896872

IUPAC3-fluoro-N,N-bis(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1cccc(F)c1
InChIInChI=1S/C15H22FNO/c1-11(2)9-17(10-12(3)4)15(18)13-6-5-7-14(16)8-13/h5-8,11-12H,9-10H2,1-4H3
InChIKeyMSWJFWARDTTYKA-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.58
Rot. Bonds5

About 3-fluoro-N,N-bis(2-methylpropyl)benzamide

3-fluoro-N,N-bis(2-methylpropyl)benzamide (PubChem CID 896872) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 3-fluoro-N,N-bis(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N,N-bis(2-methylpropyl)benzamide
PubChem CID896872
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name3-fluoro-N,N-bis(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1cccc(F)c1
InChIInChI=1S/C15H22FNO/c1-11(2)9-17(10-12(3)4)15(18)13-6-5-7-14(16)8-13/h5-8,11-12H,9-10H2,1-4H3
InChIKeyMSWJFWARDTTYKA-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-bis(2-methylpropyl)benzamide?
The IUPAC name of 3-fluoro-N,N-bis(2-methylpropyl)benzamide (CID 896872) is 3-fluoro-N,N-bis(2-methylpropyl)benzamide.
What is the SMILES notation for 3-fluoro-N,N-bis(2-methylpropyl)benzamide?
The canonical SMILES for 3-fluoro-N,N-bis(2-methylpropyl)benzamide is CC(C)CN(CC(C)C)C(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N,N-bis(2-methylpropyl)benzamide?
The InChIKey is MSWJFWARDTTYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11(2)9-17(10-12(3)4)15(18)13-6-5-7-14(16)8-13/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 3-fluoro-N,N-bis(2-methylpropyl)benzamide?
3-fluoro-N,N-bis(2-methylpropyl)benzamide has a molecular weight of 251.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-bis(2-methylpropyl)benzamide is sourced from PubChem (CID 896872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).