(2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide

C23H27FN2O3 — CID 40747464

IUPAC(2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide
SMILESCC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)N1CCCCCC1
InChIInChI=1S/C23H27FN2O3/c1-2-20(29-21-14-8-6-12-18(21)24)22(27)25-19-13-7-5-11-17(19)23(28)26-15-9-3-4-10-16-26/h5-8,11-14,20H,2-4,9-10,15-16H2,1H3,(H,25,27)/t20-/m1/s1
InChIKeyXJKZKQLLATVKNG-HXUWFJFHSA-N
MW398.48 g/mol
LogP4.64
Rot. Bonds6

About (2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide

(2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide (PubChem CID 40747464) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is (2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide
PubChem CID40747464
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name(2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide
SMILESCC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)N1CCCCCC1
InChIInChI=1S/C23H27FN2O3/c1-2-20(29-21-14-8-6-12-18(21)24)22(27)25-19-13-7-5-11-17(19)23(28)26-15-9-3-4-10-16-26/h5-8,11-14,20H,2-4,9-10,15-16H2,1H3,(H,25,27)/t20-/m1/s1
InChIKeyXJKZKQLLATVKNG-HXUWFJFHSA-N
XLogP4.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-naphthalen-1-yloxy-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 92682982
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 38004411
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide
CID 28632970
2-(3-methoxyphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 46764443
2-(3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 4928588
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methylphenoxy)butanamide
CID 92947905
(2R)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 28633196
(2S)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 28633197
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide
CID 9173752
(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one
CID 9173642
(2S)-2-(2-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 40742401
(2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 9181809

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide?
The IUPAC name of (2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide (CID 40747464) is (2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide.
What is the SMILES notation for (2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide?
The canonical SMILES for (2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide is CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)N1CCCCCC1.
What is the InChIKey of (2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide?
The InChIKey is XJKZKQLLATVKNG-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-2-20(29-21-14-8-6-12-18(21)24)22(27)25-19-13-7-5-11-17(19)23(28)26-15-9-3-4-10-16-26/h5-8,11-14,20H,2-4,9-10,15-16H2,1H3,(H,25,27)/t20-/m1/s1.
What are the key properties of (2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide?
(2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide has a molecular weight of 398.48 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 40747464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).