N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-fluoro-4-[(3-fluorophenyl)methoxy]benzamide

C17H16F2N2O4 — CID 10450512

IUPACN-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-fluoro-4-[(3-fluorophenyl)methoxy]benzamide
SMILESNC(=O)[C@H](CO)NC(=O)c1ccc(OCc2cccc(F)c2)cc1F
InChIInChI=1S/C17H16F2N2O4/c18-11-3-1-2-10(6-11)9-25-12-4-5-13(14(19)7-12)17(24)21-15(8-22)16(20)23/h1-7,15,22H,8-9H2,(H2,20,23)(H,21,24)/t15-/m0/s1
InChIKeyWYCKGVSJOSPHHY-HNNXBMFYSA-N
MW350.32 g/mol
LogP1.12
Rot. Bonds7

About N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-fluoro-4-[(3-fluorophenyl)methoxy]benzamide

N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-fluoro-4-[(3-fluorophenyl)methoxy]benzamide (PubChem CID 10450512) has the molecular formula C17H16F2N2O4 and a molecular weight of 350.32 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-fluoro-4-[(3-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-fluoro-4-[(3-fluorophenyl)methoxy]benzamide
PubChem CID10450512
Molecular FormulaC17H16F2N2O4
Molecular Weight350.32 g/mol
Exact Mass350.11
IUPAC NameN-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-fluoro-4-[(3-fluorophenyl)methoxy]benzamide
SMILESNC(=O)[C@H](CO)NC(=O)c1ccc(OCc2cccc(F)c2)cc1F
InChIInChI=1S/C17H16F2N2O4/c18-11-3-1-2-10(6-11)9-25-12-4-5-13(14(19)7-12)17(24)21-15(8-22)16(20)23/h1-7,15,22H,8-9H2,(H2,20,23)(H,21,24)/t15-/m0/s1
InChIKeyWYCKGVSJOSPHHY-HNNXBMFYSA-N
XLogP1.12
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379295
3-[4-[(3-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanamide
CID 171869350
2-[3-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 60604617
2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
CID 141216434
2-[[4-[3-(3-fluorophenyl)propoxy]phenyl]methylamino]-3-hydroxypropanamide
CID 19388171
1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 91863532
4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid
CID 113437320
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868
2-[(3-fluorophenyl)methoxy]-4-methoxybenzamide
CID 17495497
(2S)-6-amino-2-[[4-[(3-fluorophenyl)methoxy]phenyl]carbamoylamino]hexanoic acid
CID 149432585
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-fluoro-4-[(3-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-fluoro-4-[(3-fluorophenyl)methoxy]benzamide (CID 10450512) is N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-fluoro-4-[(3-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-fluoro-4-[(3-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-fluoro-4-[(3-fluorophenyl)methoxy]benzamide is NC(=O)[C@H](CO)NC(=O)c1ccc(OCc2cccc(F)c2)cc1F.
What is the InChIKey of N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-fluoro-4-[(3-fluorophenyl)methoxy]benzamide?
The InChIKey is WYCKGVSJOSPHHY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16F2N2O4/c18-11-3-1-2-10(6-11)9-25-12-4-5-13(14(19)7-12)17(24)21-15(8-22)16(20)23/h1-7,15,22H,8-9H2,(H2,20,23)(H,21,24)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-fluoro-4-[(3-fluorophenyl)methoxy]benzamide?
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-fluoro-4-[(3-fluorophenyl)methoxy]benzamide has a molecular weight of 350.32 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-fluoro-4-[(3-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 10450512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).