N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide

C15H22FNO — CID 110442195

IUPACN-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(C)(C)c1ccccc1F
InChIInChI=1S/C15H22FNO/c1-11(2)9-14(18)17-10-15(3,4)12-7-5-6-8-13(12)16/h5-8,11H,9-10H2,1-4H3,(H,17,18)
InChIKeyDXIWXEMHHKQQBZ-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.27
Rot. Bonds5

About N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide

N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide (PubChem CID 110442195) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
PubChem CID110442195
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(C)(C)c1ccccc1F
InChIInChI=1S/C15H22FNO/c1-11(2)9-14(18)17-10-15(3,4)12-7-5-6-8-13(12)16/h5-8,11H,9-10H2,1-4H3,(H,17,18)
InChIKeyDXIWXEMHHKQQBZ-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
CID 119766073
2-amino-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591195
1-[2-(2-fluorophenyl)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine
CID 111126131
N-[2-(2-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159146
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119766091
2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]acetic acid
CID 115218193
5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid
CID 119183626
3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119773046
3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 120610225
N-[2-(2-fluorophenyl)-2-methylpropyl]-2-morpholin-4-ylacetamide
CID 110444248
N-[3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 51103810
N-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]thiophene-3-carboxamide
CID 51104213

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide (CID 110442195) is N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide is CC(C)CC(=O)NCC(C)(C)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide?
The InChIKey is DXIWXEMHHKQQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11(2)9-14(18)17-10-15(3,4)12-7-5-6-8-13(12)16/h5-8,11H,9-10H2,1-4H3,(H,17,18).
What are the key properties of N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide?
N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide has a molecular weight of 251.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide is sourced from PubChem (CID 110442195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).