N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide

C18H20FNO — CID 46828410

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(c2ccc(F)cc2)C(C)C)c1
InChIInChI=1S/C18H20FNO/c1-12(2)17(14-7-9-16(19)10-8-14)20-18(21)15-6-4-5-13(3)11-15/h4-12,17H,1-3H3,(H,20,21)
InChIKeyQTCQSBQBEPYPMP-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.26
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide

N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide (PubChem CID 46828410) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide
PubChem CID46828410
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(c2ccc(F)cc2)C(C)C)c1
InChIInChI=1S/C18H20FNO/c1-12(2)17(14-7-9-16(19)10-8-14)20-18(21)15-6-4-5-13(3)11-15/h4-12,17H,1-3H3,(H,20,21)
InChIKeyQTCQSBQBEPYPMP-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide
CID 34081623
N-[cyano-(4-fluorophenyl)methyl]-3-methylbenzamide
CID 78631291
4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670865
4-fluoro-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670868
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763621
3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051719
N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide
CID 47009683
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 39968266
[1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 18275173
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide
CID 46828347

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide (CID 46828410) is N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide is Cc1cccc(C(=O)NC(c2ccc(F)cc2)C(C)C)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide?
The InChIKey is QTCQSBQBEPYPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12(2)17(14-7-9-16(19)10-8-14)20-18(21)15-6-4-5-13(3)11-15/h4-12,17H,1-3H3,(H,20,21).
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide?
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide has a molecular weight of 285.36 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide is sourced from PubChem (CID 46828410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).