N-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide

C21H25FN2O3 — CID 28632385

IUPACN-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O3/c1-3-5-14-23-20(25)17-8-6-7-9-18(17)24-21(26)19(4-2)27-16-12-10-15(22)11-13-16/h6-13,19H,3-5,14H2,1-2H3,(H,23,25)(H,24,26)/t19-/m0/s1
InChIKeyUYWRFHGIMYCTRB-IBGZPJMESA-N
MW372.44 g/mol
LogP4.15
Rot. Bonds9

About N-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide

N-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide (PubChem CID 28632385) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide
PubChem CID28632385
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O3/c1-3-5-14-23-20(25)17-8-6-7-9-18(17)24-21(26)19(4-2)27-16-12-10-15(22)11-13-16/h6-13,19H,3-5,14H2,1-2H3,(H,23,25)(H,24,26)/t19-/m0/s1
InChIKeyUYWRFHGIMYCTRB-IBGZPJMESA-N
XLogP4.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]benzamide
CID 28631856
N-butyl-2-[[(2R)-2-(2-chlorophenoxy)butanoyl]amino]benzamide
CID 38008825
2-[2-(4-fluorophenoxy)butanoylamino]benzamide
CID 43906030
N-(2-benzoylphenyl)-2-(4-fluorophenoxy)butanamide
CID 132656695
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(4-fluorophenoxy)butanoyl]amino]benzamide
CID 92680845
N-(3-methoxypropyl)-2-(2-naphthalen-2-yloxybutanoylamino)benzamide
CID 43909098
N-cyclohexyl-2-[2-(4-fluorophenoxy)butanoylamino]benzamide
CID 43886444
N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 46771035
2-[2-(4-fluorophenoxy)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133255501
2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 92685868
2-[2-(4-ethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 132657490
2-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-phenylethyl)benzamide
CID 94018440

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide?
The IUPAC name of N-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide (CID 28632385) is N-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide.
What is the SMILES notation for N-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide?
The canonical SMILES for N-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide is CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(F)cc1.
What is the InChIKey of N-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide?
The InChIKey is UYWRFHGIMYCTRB-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-3-5-14-23-20(25)17-8-6-7-9-18(17)24-21(26)19(4-2)27-16-12-10-15(22)11-13-16/h6-13,19H,3-5,14H2,1-2H3,(H,23,25)(H,24,26)/t19-/m0/s1.
What are the key properties of N-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide?
N-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide has a molecular weight of 372.44 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide is sourced from PubChem (CID 28632385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).