3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide

C19H22FNO — CID 95901327

IUPAC3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C19H22FNO/c1-15(7-8-16-5-3-2-4-6-16)21-19(22)14-11-17-9-12-18(20)13-10-17/h2-6,9-10,12-13,15H,7-8,11,14H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyZHZIVHZMRABAKR-HNNXBMFYSA-N
MW299.39 g/mol
LogP3.90
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide

3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide (PubChem CID 95901327) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
PubChem CID95901327
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C19H22FNO/c1-15(7-8-16-5-3-2-4-6-16)21-19(22)14-11-17-9-12-18(20)13-10-17/h2-6,9-10,12-13,15H,7-8,11,14H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyZHZIVHZMRABAKR-HNNXBMFYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735
2-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 4079657
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
4-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzoic acid
CID 119179231
3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418758
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
N-(4-bromobutan-2-yl)-3-phenylpropanamide
CID 83178672
4-oxo-4-[[(2S)-4-phenylbutan-2-yl]amino]butanoate
CID 2223864
3-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 4172358
N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3-fluorophenyl)propanamide
CID 86894208
(2S)-2-[3-(4-fluorophenyl)propanoylamino]-3-methyl-N-(1-oxo-3-phenylpropan-2-yl)butanamide
CID 87133874

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide (CID 95901327) is 3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide is C[C@@H](CCc1ccccc1)NC(=O)CCc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The InChIKey is ZHZIVHZMRABAKR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22FNO/c1-15(7-8-16-5-3-2-4-6-16)21-19(22)14-11-17-9-12-18(20)13-10-17/h2-6,9-10,12-13,15H,7-8,11,14H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide?
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide has a molecular weight of 299.39 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 95901327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).