(1R,2R,4S)-2-ethyl-N-[(2-fluorophenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

C22H27FN2O2 — CID 154564466

IUPAC(1R,2R,4S)-2-ethyl-N-[(2-fluorophenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC[C@@]1(C(=O)NCc2ccccc2F)C[C@@H]2CC[C@H]1N2Cc1ccc(C)o1
InChIInChI=1S/C22H27FN2O2/c1-3-22(21(26)24-13-16-6-4-5-7-19(16)23)12-17-9-11-20(22)25(17)14-18-10-8-15(2)27-18/h4-8,10,17,20H,3,9,11-14H2,1-2H3,(H,24,26)/t17-,20+,22+/m0/s1
InChIKeyWMPNSDSWAPUJRE-UCNVEGJOSA-N
MW370.47 g/mol
LogP4.18
Rot. Bonds6

About (1R,2R,4S)-2-ethyl-N-[(2-fluorophenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,4S)-2-ethyl-N-[(2-fluorophenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 154564466) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is (1R,2R,4S)-2-ethyl-N-[(2-fluorophenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S)-2-ethyl-N-[(2-fluorophenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID154564466
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name(1R,2R,4S)-2-ethyl-N-[(2-fluorophenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC[C@@]1(C(=O)NCc2ccccc2F)C[C@@H]2CC[C@H]1N2Cc1ccc(C)o1
InChIInChI=1S/C22H27FN2O2/c1-3-22(21(26)24-13-16-6-4-5-7-19(16)23)12-17-9-11-20(22)25(17)14-18-10-8-15(2)27-18/h4-8,10,17,20H,3,9,11-14H2,1-2H3,(H,24,26)/t17-,20+,22+/m0/s1
InChIKeyWMPNSDSWAPUJRE-UCNVEGJOSA-N
XLogP4.18
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2R,4S)-2-ethyl-N-[(2-fluorophenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R,4S)-2-ethyl-7-[(5-methylfuran-2-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 154567330
ethyl (1R,2R,4S)-2-ethyl-7-[(5-methylfuran-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 146040504
(1R,2R,4S)-2-ethyl-N-[(2-fluorophenyl)methyl]-7-(1-methylpyrrole-2-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide;formic acid
CID 163333649
(1S,2R,4R)-7-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(1,3-thiazol-4-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 170507167
2-[4-[(2-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 110284258
ethyl (1R,2R,4S)-2-ethyl-7-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 146044852
(1R,2R,4S)-2-ethyl-7-(pyrimidin-5-ylmethyl)-N-(2-thiophen-2-ylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 155506932
(7R,8aS)-1'-[(2-fluorophenyl)methyl]-7-hydroxy-2-[(5-methylfuran-2-yl)methyl]spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 100615674
ethyl (1R,2R,4S)-2-ethyl-7-[(5-ethylthiophen-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 146039112
N-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)benzamide
CID 71690177
ethyl (1R,2R,4S)-2-ethyl-7-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 146038567
N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-ethyl-N-[(2-fluorophenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4S)-2-ethyl-N-[(2-fluorophenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 154564466) is (1R,2R,4S)-2-ethyl-N-[(2-fluorophenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4S)-2-ethyl-N-[(2-fluorophenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4S)-2-ethyl-N-[(2-fluorophenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is CC[C@@]1(C(=O)NCc2ccccc2F)C[C@@H]2CC[C@H]1N2Cc1ccc(C)o1.
What is the InChIKey of (1R,2R,4S)-2-ethyl-N-[(2-fluorophenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is WMPNSDSWAPUJRE-UCNVEGJOSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-3-22(21(26)24-13-16-6-4-5-7-19(16)23)12-17-9-11-20(22)25(17)14-18-10-8-15(2)27-18/h4-8,10,17,20H,3,9,11-14H2,1-2H3,(H,24,26)/t17-,20+,22+/m0/s1.
What are the key properties of (1R,2R,4S)-2-ethyl-N-[(2-fluorophenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4S)-2-ethyl-N-[(2-fluorophenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-ethyl-N-[(2-fluorophenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 154564466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).