N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide

C19H23FN2O3 — CID 94617347

IUPACN-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1
InChIInChI=1S/C19H23FN2O3/c1-12-6-7-24-18(12)19(23)21-9-15-4-5-17(16(20)8-15)22-10-13(2)25-14(3)11-22/h4-8,13-14H,9-11H2,1-3H3,(H,21,23)/t13-,14-/m0/s1
InChIKeyCDXRKNBXXRLVQL-KBPBESRZSA-N
MW346.40 g/mol
LogP3.27
Rot. Bonds4

About N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide

N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide (PubChem CID 94617347) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide
PubChem CID94617347
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC NameN-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1
InChIInChI=1S/C19H23FN2O3/c1-12-6-7-24-18(12)19(23)21-9-15-4-5-17(16(20)8-15)22-10-13(2)25-14(3)11-22/h4-8,13-14H,9-11H2,1-3H3,(H,21,23)/t13-,14-/m0/s1
InChIKeyCDXRKNBXXRLVQL-KBPBESRZSA-N
XLogP3.27
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3,4-dimethylbenzamide
CID 55876400
5-chloro-N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]furan-2-carboxamide
CID 55877945
2-chloro-N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]acetamide
CID 96582200
4-carbamothioyl-N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]benzamide
CID 94840333
1-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-[(2R)-2-hydroxypropyl]urea
CID 94679072
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 55876538
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]cyclobutanecarboxamide
CID 47062619
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide
CID 60551160
N-[3-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55877442
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-thiophen-2-ylacetamide
CID 55877812
3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea
CID 52505087
N-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 52534775

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide (CID 94617347) is N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1.
What is the InChIKey of N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide?
The InChIKey is CDXRKNBXXRLVQL-KBPBESRZSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-12-6-7-24-18(12)19(23)21-9-15-4-5-17(16(20)8-15)22-10-13(2)25-14(3)11-22/h4-8,13-14H,9-11H2,1-3H3,(H,21,23)/t13-,14-/m0/s1.
What are the key properties of N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide?
N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 94617347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).