N-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide

C21H25FN2O3 — CID 9173752

IUPACN-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide
SMILESCC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)N[C@@H](C)CC
InChIInChI=1S/C21H25FN2O3/c1-4-14(3)23-20(25)15-10-6-8-12-17(15)24-21(26)18(5-2)27-19-13-9-7-11-16(19)22/h6-14,18H,4-5H2,1-3H3,(H,23,25)(H,24,26)/t14-,18-/m0/s1
InChIKeyHLKHLXHNVKUSIV-KSSFIOAISA-N
MW372.44 g/mol
LogP4.15
Rot. Bonds8

About N-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide

N-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide (PubChem CID 9173752) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide
PubChem CID9173752
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide
SMILESCC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)N[C@@H](C)CC
InChIInChI=1S/C21H25FN2O3/c1-4-14(3)23-20(25)15-10-6-8-12-17(15)24-21(26)18(5-2)27-19-13-9-7-11-16(19)22/h6-14,18H,4-5H2,1-3H3,(H,23,25)(H,24,26)/t14-,18-/m0/s1
InChIKeyHLKHLXHNVKUSIV-KSSFIOAISA-N
XLogP4.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide with MolForge

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Related Compounds

(2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 9181809
N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
CID 132657473
(2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide
CID 40747464
2-[[(2R)-2-naphthalen-1-yloxybutanoyl]amino]-N-propan-2-ylbenzamide
CID 38005316
N-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide
CID 46772085
2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide
CID 92674701
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
N-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 133251866
N-butan-2-yl-2-[(2-methoxybenzoyl)amino]benzamide
CID 3936748
N-(2-methoxyethyl)-2-[2-(2-methylphenoxy)butanoylamino]benzamide
CID 17150336
2-[[(2S)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 38007685

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide (CID 9173752) is N-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide is CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)N[C@@H](C)CC.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide?
The InChIKey is HLKHLXHNVKUSIV-KSSFIOAISA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-4-14(3)23-20(25)15-10-6-8-12-17(15)24-21(26)18(5-2)27-19-13-9-7-11-16(19)22/h6-14,18H,4-5H2,1-3H3,(H,23,25)(H,24,26)/t14-,18-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide?
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide has a molecular weight of 372.44 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide is sourced from PubChem (CID 9173752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).