2-fluoro-N-[(2S,3S)-3-[(2-fluorobenzoyl)amino]-1,4-dihydroxybutan-2-yl]benzamide

C18H18F2N2O4 — CID 10570753

IUPAC2-fluoro-N-[(2S,3S)-3-[(2-fluorobenzoyl)amino]-1,4-dihydroxybutan-2-yl]benzamide
SMILESO=C(N[C@H](CO)[C@@H](CO)NC(=O)c1ccccc1F)c1ccccc1F
InChIInChI=1S/C18H18F2N2O4/c19-13-7-3-1-5-11(13)17(25)21-15(9-23)16(10-24)22-18(26)12-6-2-4-8-14(12)20/h1-8,15-16,23-24H,9-10H2,(H,21,25)(H,22,26)/t15-,16-/m1/s1
InChIKeyRVICVGNQCNGNBR-HZPDHXFCSA-N
MW364.35 g/mol
LogP0.85
Rot. Bonds7

About 2-fluoro-N-[(2S,3S)-3-[(2-fluorobenzoyl)amino]-1,4-dihydroxybutan-2-yl]benzamide

2-fluoro-N-[(2S,3S)-3-[(2-fluorobenzoyl)amino]-1,4-dihydroxybutan-2-yl]benzamide (PubChem CID 10570753) has the molecular formula C18H18F2N2O4 and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-fluoro-N-[(2S,3S)-3-[(2-fluorobenzoyl)amino]-1,4-dihydroxybutan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2S,3S)-3-[(2-fluorobenzoyl)amino]-1,4-dihydroxybutan-2-yl]benzamide
PubChem CID10570753
Molecular FormulaC18H18F2N2O4
Molecular Weight364.35 g/mol
Exact Mass364.12
IUPAC Name2-fluoro-N-[(2S,3S)-3-[(2-fluorobenzoyl)amino]-1,4-dihydroxybutan-2-yl]benzamide
SMILESO=C(N[C@H](CO)[C@@H](CO)NC(=O)c1ccccc1F)c1ccccc1F
InChIInChI=1S/C18H18F2N2O4/c19-13-7-3-1-5-11(13)17(25)21-15(9-23)16(10-24)22-18(26)12-6-2-4-8-14(12)20/h1-8,15-16,23-24H,9-10H2,(H,21,25)(H,22,26)/t15-,16-/m1/s1
InChIKeyRVICVGNQCNGNBR-HZPDHXFCSA-N
XLogP0.85
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
2,3-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249315
2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61242891
2-chloro-3-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 81461590
2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 3729415
2-[(2-fluorobenzoyl)amino]-3-sulfanylpropanoic acid
CID 16778206
N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide
CID 3713730
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
(2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 61153204
N-(1-chlorobutan-2-yl)-2-fluorobenzamide
CID 114294621
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide
CID 79252526
2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981439

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2S,3S)-3-[(2-fluorobenzoyl)amino]-1,4-dihydroxybutan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[(2S,3S)-3-[(2-fluorobenzoyl)amino]-1,4-dihydroxybutan-2-yl]benzamide (CID 10570753) is 2-fluoro-N-[(2S,3S)-3-[(2-fluorobenzoyl)amino]-1,4-dihydroxybutan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2S,3S)-3-[(2-fluorobenzoyl)amino]-1,4-dihydroxybutan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[(2S,3S)-3-[(2-fluorobenzoyl)amino]-1,4-dihydroxybutan-2-yl]benzamide is O=C(N[C@H](CO)[C@@H](CO)NC(=O)c1ccccc1F)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(2S,3S)-3-[(2-fluorobenzoyl)amino]-1,4-dihydroxybutan-2-yl]benzamide?
The InChIKey is RVICVGNQCNGNBR-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H18F2N2O4/c19-13-7-3-1-5-11(13)17(25)21-15(9-23)16(10-24)22-18(26)12-6-2-4-8-14(12)20/h1-8,15-16,23-24H,9-10H2,(H,21,25)(H,22,26)/t15-,16-/m1/s1.
What are the key properties of 2-fluoro-N-[(2S,3S)-3-[(2-fluorobenzoyl)amino]-1,4-dihydroxybutan-2-yl]benzamide?
2-fluoro-N-[(2S,3S)-3-[(2-fluorobenzoyl)amino]-1,4-dihydroxybutan-2-yl]benzamide has a molecular weight of 364.35 g/mol, XLogP of 0.85, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2S,3S)-3-[(2-fluorobenzoyl)amino]-1,4-dihydroxybutan-2-yl]benzamide is sourced from PubChem (CID 10570753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).