(2R)-N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)azepane-1-carboxamide

C19H23FN2O3 — CID 126445655

IUPAC(2R)-N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)azepane-1-carboxamide
SMILESO=C(NCCOc1ccccc1F)N1CCCCC[C@@H]1c1ccco1
InChIInChI=1S/C19H23FN2O3/c20-15-7-3-4-9-17(15)25-14-11-21-19(23)22-12-5-1-2-8-16(22)18-10-6-13-24-18/h3-4,6-7,9-10,13,16H,1-2,5,8,11-12,14H2,(H,21,23)/t16-/m1/s1
InChIKeyGMIITBAJTAANRI-MRXNPFEDSA-N
MW346.40 g/mol
LogP4.12
Rot. Bonds5

About (2R)-N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)azepane-1-carboxamide

(2R)-N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)azepane-1-carboxamide (PubChem CID 126445655) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is (2R)-N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)azepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)azepane-1-carboxamide
PubChem CID126445655
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name(2R)-N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)azepane-1-carboxamide
SMILESO=C(NCCOc1ccccc1F)N1CCCCC[C@@H]1c1ccco1
InChIInChI=1S/C19H23FN2O3/c20-15-7-3-4-9-17(15)25-14-11-21-19(23)22-12-5-1-2-8-16(22)18-10-6-13-24-18/h3-4,6-7,9-10,13,16H,1-2,5,8,11-12,14H2,(H,21,23)/t16-/m1/s1
InChIKeyGMIITBAJTAANRI-MRXNPFEDSA-N
XLogP4.12
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidine-1-carboxamide
CID 112970222
(2R)-2-(furan-2-yl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
CID 51551008
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)azepane-1-carboxamide
CID 71930413
(2S)-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(furan-2-yl)azepane-1-carboxamide
CID 97078797
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
(2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51551012
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 18162061
2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 51550766
4-(2-fluorophenoxy)-1-[2-(4-methoxyphenyl)azepan-1-yl]butan-1-one
CID 60554330
(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94041255
tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
CID 124500862
N-[2-(2-fluorophenoxy)ethyl]cyclopent-3-ene-1-carboxamide
CID 131923892

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)azepane-1-carboxamide?
The IUPAC name of (2R)-N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)azepane-1-carboxamide (CID 126445655) is (2R)-N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)azepane-1-carboxamide.
What is the SMILES notation for (2R)-N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)azepane-1-carboxamide?
The canonical SMILES for (2R)-N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)azepane-1-carboxamide is O=C(NCCOc1ccccc1F)N1CCCCC[C@@H]1c1ccco1.
What is the InChIKey of (2R)-N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)azepane-1-carboxamide?
The InChIKey is GMIITBAJTAANRI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23FN2O3/c20-15-7-3-4-9-17(15)25-14-11-21-19(23)22-12-5-1-2-8-16(22)18-10-6-13-24-18/h3-4,6-7,9-10,13,16H,1-2,5,8,11-12,14H2,(H,21,23)/t16-/m1/s1.
What are the key properties of (2R)-N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)azepane-1-carboxamide?
(2R)-N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)azepane-1-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)azepane-1-carboxamide is sourced from PubChem (CID 126445655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).