N-[(2R)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-5-methylfuran-2-carboxamide

C20H23FN2O4 — CID 100733075

IUPACN-[(2R)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)o1
InChIInChI=1S/C20H23FN2O4/c1-14-5-6-18(27-14)19(24)22-13-16(11-15-3-2-4-17(21)12-15)20(25)23-7-9-26-10-8-23/h2-6,12,16H,7-11,13H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyRWOHGWAFDOSUHP-MRXNPFEDSA-N
MW374.41 g/mol
LogP2.17
Rot. Bonds6

About N-[(2R)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-5-methylfuran-2-carboxamide

N-[(2R)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-5-methylfuran-2-carboxamide (PubChem CID 100733075) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is N-[(2R)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-5-methylfuran-2-carboxamide
PubChem CID100733075
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC NameN-[(2R)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)o1
InChIInChI=1S/C20H23FN2O4/c1-14-5-6-18(27-14)19(24)22-13-16(11-15-3-2-4-17(21)12-15)20(25)23-7-9-26-10-8-23/h2-6,12,16H,7-11,13H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyRWOHGWAFDOSUHP-MRXNPFEDSA-N
XLogP2.17
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one
CID 119051980
(2R)-2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one
CID 124844972
N-[(2S)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-2-(tetrazol-1-yl)benzamide
CID 100735065
N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 18118749
5-methyl-N-(2-methylpropyl)furan-2-carboxamide
CID 3644011
5-methyl-N-morpholin-4-ylfuran-2-carboxamide
CID 3507503
2-(3-fluorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164161
1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111396549
3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 110347745
5-methyl-N-(2-pyrrolidin-1-ylpropyl)furan-2-carboxamide
CID 47031083
1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111286462
N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97039442

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[(2R)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-5-methylfuran-2-carboxamide (CID 100733075) is N-[(2R)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[(2R)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)o1.
What is the InChIKey of N-[(2R)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-5-methylfuran-2-carboxamide?
The InChIKey is RWOHGWAFDOSUHP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-14-5-6-18(27-14)19(24)22-13-16(11-15-3-2-4-17(21)12-15)20(25)23-7-9-26-10-8-23/h2-6,12,16H,7-11,13H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-5-methylfuran-2-carboxamide?
N-[(2R)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-5-methylfuran-2-carboxamide has a molecular weight of 374.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(3-fluorophenyl)methyl]-3-morpholin-4-yl-3-oxopropyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 100733075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).