3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide

C18H20FNO — CID 94107192

IUPAC3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide
SMILESC[C@H](CNC(=O)CCc1ccccc1F)c1ccccc1
InChIInChI=1S/C18H20FNO/c1-14(15-7-3-2-4-8-15)13-20-18(21)12-11-16-9-5-6-10-17(16)19/h2-10,14H,11-13H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyVJORMGTXRKZORO-CQSZACIVSA-N
MW285.36 g/mol
LogP3.68
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide

3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide (PubChem CID 94107192) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide
PubChem CID94107192
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide
SMILESC[C@H](CNC(=O)CCc1ccccc1F)c1ccccc1
InChIInChI=1S/C18H20FNO/c1-14(15-7-3-2-4-8-15)13-20-18(21)12-11-16-9-5-6-10-17(16)19/h2-10,14H,11-13H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyVJORMGTXRKZORO-CQSZACIVSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(4-methylphenyl)-N-(2-phenylpropyl)propanamide
CID 133229339
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3-[3-(2-fluorophenyl)propanoylamino]-3-phenylpropanoic acid
CID 45461619
3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
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3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide
CID 51072977
N-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide
CID 110620398
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide
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CID 97417764

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide (CID 94107192) is 3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide is C[C@H](CNC(=O)CCc1ccccc1F)c1ccccc1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide?
The InChIKey is VJORMGTXRKZORO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20FNO/c1-14(15-7-3-2-4-8-15)13-20-18(21)12-11-16-9-5-6-10-17(16)19/h2-10,14H,11-13H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of 3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide?
3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide has a molecular weight of 285.36 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide is sourced from PubChem (CID 94107192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).