4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide

C17H18FNO — CID 63213334

IUPAC4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide
SMILESCc1cc(C(=O)NC(C)Cc2ccccc2)ccc1F
InChIInChI=1S/C17H18FNO/c1-12-10-15(8-9-16(12)18)17(20)19-13(2)11-14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyLXHVMZDXPGGMFT-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.50
Rot. Bonds4

About 4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide

4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide (PubChem CID 63213334) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide
PubChem CID63213334
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide
SMILESCc1cc(C(=O)NC(C)Cc2ccccc2)ccc1F
InChIInChI=1S/C17H18FNO/c1-12-10-15(8-9-16(12)18)17(20)19-13(2)11-14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyLXHVMZDXPGGMFT-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-hydrazinyl-3-methyl-N-(1-phenylpropan-2-yl)benzamide
CID 63212762
4-fluoro-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 63212844
N-(4-bromobutan-2-yl)-4-fluoro-3-methylbenzamide
CID 83178455
N-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide
CID 115649751
4-fluoro-3-methyl-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 113461612
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
N-(1-phenylpropan-2-yl)-4-sulfanylbenzamide
CID 107029231
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
N-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-methylbenzamide
CID 113245327
2-[(4-fluoro-3-methylbenzoyl)amino]-3-methylbutanoic acid
CID 63210063
6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide
CID 142841274
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide
CID 107861214

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide (CID 63213334) is 4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide is Cc1cc(C(=O)NC(C)Cc2ccccc2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide?
The InChIKey is LXHVMZDXPGGMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12-10-15(8-9-16(12)18)17(20)19-13(2)11-14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,19,20).
What are the key properties of 4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide?
4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide has a molecular weight of 271.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 63213334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).