2-fluoro-N-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxopropyl]benzamide

C19H21FN2O3 — CID 46990558

IUPAC2-fluoro-N-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1F)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C19H21FN2O3/c20-17-9-5-4-8-16(17)19(25)21-11-10-18(24)22-15(13-23)12-14-6-2-1-3-7-14/h1-9,15,23H,10-13H2,(H,21,25)(H,22,24)/t15-/m0/s1
InChIKeyXKPYVTPAXQHJJQ-HNNXBMFYSA-N
MW344.39 g/mol
LogP1.67
Rot. Bonds8

About 2-fluoro-N-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxopropyl]benzamide

2-fluoro-N-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxopropyl]benzamide (PubChem CID 46990558) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-fluoro-N-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxopropyl]benzamide
PubChem CID46990558
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name2-fluoro-N-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1F)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C19H21FN2O3/c20-17-9-5-4-8-16(17)19(25)21-11-10-18(24)22-15(13-23)12-14-6-2-1-3-7-14/h1-9,15,23H,10-13H2,(H,21,25)(H,22,24)/t15-/m0/s1
InChIKeyXKPYVTPAXQHJJQ-HNNXBMFYSA-N
XLogP1.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 63260698
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 110935609
5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260573
4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673887
2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide
CID 61247074
2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981439
2-fluoro-N-(1-phenylbutan-2-yl)benzamide
CID 2973548
3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 95040090
2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 104696636
6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide
CID 65291089
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2,4,5-trifluorophenyl)acetamide
CID 99780548

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxopropyl]benzamide (CID 46990558) is 2-fluoro-N-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1F)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of 2-fluoro-N-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxopropyl]benzamide?
The InChIKey is XKPYVTPAXQHJJQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-17-9-5-4-8-16(17)19(25)21-11-10-18(24)22-15(13-23)12-14-6-2-1-3-7-14/h1-9,15,23H,10-13H2,(H,21,25)(H,22,24)/t15-/m0/s1.
What are the key properties of 2-fluoro-N-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxopropyl]benzamide?
2-fluoro-N-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxopropyl]benzamide has a molecular weight of 344.39 g/mol, XLogP of 1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 46990558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).