4-benzyl-N-(5,6-difluoro-1H-indol-3-yl)morpholine-2-carboxamide

C20H19F2N3O2 — CID 162705279

IUPAC4-benzyl-N-(5,6-difluoro-1H-indol-3-yl)morpholine-2-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C20H19F2N3O2/c21-15-8-14-17(9-16(15)22)23-10-18(14)24-20(26)19-12-25(6-7-27-19)11-13-4-2-1-3-5-13/h1-5,8-10,19,23H,6-7,11-12H2,(H,24,26)
InChIKeyLRYRJSCSJPPIBX-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.29
Rot. Bonds4

About 4-benzyl-N-(5,6-difluoro-1H-indol-3-yl)morpholine-2-carboxamide

4-benzyl-N-(5,6-difluoro-1H-indol-3-yl)morpholine-2-carboxamide (PubChem CID 162705279) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-benzyl-N-(5,6-difluoro-1H-indol-3-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(5,6-difluoro-1H-indol-3-yl)morpholine-2-carboxamide
PubChem CID162705279
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name4-benzyl-N-(5,6-difluoro-1H-indol-3-yl)morpholine-2-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C20H19F2N3O2/c21-15-8-14-17(9-16(15)22)23-10-18(14)24-20(26)19-12-25(6-7-27-19)11-13-4-2-1-3-5-13/h1-5,8-10,19,23H,6-7,11-12H2,(H,24,26)
InChIKeyLRYRJSCSJPPIBX-UHFFFAOYSA-N
XLogP3.29
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide
CID 119420780
(2S)-4-benzyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]morpholine-2-carboxamide
CID 95775872
(2S)-4-benzyl-N-(2-ethyl-4-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide
CID 97259995
N-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide
CID 155981047
4-[(2-fluorophenyl)methyl]-N-(4-pyridin-4-yl-1H-pyrrol-2-yl)morpholine-2-carboxamide
CID 66615149
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
4-[[[(2S)-4-benzylmorpholine-2-carbonyl]amino]methyl]benzoic acid
CID 124703916
(2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide
CID 95775991
4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide
CID 58504652
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
N-(5,6-difluoro-1H-indol-3-yl)-5-phenylpyrazolidine-3-carboxamide
CID 168678351
(2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide
CID 97216021

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(5,6-difluoro-1H-indol-3-yl)morpholine-2-carboxamide?
The IUPAC name of 4-benzyl-N-(5,6-difluoro-1H-indol-3-yl)morpholine-2-carboxamide (CID 162705279) is 4-benzyl-N-(5,6-difluoro-1H-indol-3-yl)morpholine-2-carboxamide.
What is the SMILES notation for 4-benzyl-N-(5,6-difluoro-1H-indol-3-yl)morpholine-2-carboxamide?
The canonical SMILES for 4-benzyl-N-(5,6-difluoro-1H-indol-3-yl)morpholine-2-carboxamide is O=C(Nc1c[nH]c2cc(F)c(F)cc12)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 4-benzyl-N-(5,6-difluoro-1H-indol-3-yl)morpholine-2-carboxamide?
The InChIKey is LRYRJSCSJPPIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c21-15-8-14-17(9-16(15)22)23-10-18(14)24-20(26)19-12-25(6-7-27-19)11-13-4-2-1-3-5-13/h1-5,8-10,19,23H,6-7,11-12H2,(H,24,26).
What are the key properties of 4-benzyl-N-(5,6-difluoro-1H-indol-3-yl)morpholine-2-carboxamide?
4-benzyl-N-(5,6-difluoro-1H-indol-3-yl)morpholine-2-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(5,6-difluoro-1H-indol-3-yl)morpholine-2-carboxamide is sourced from PubChem (CID 162705279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).