2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone

C16H15ClN2O4 — CID 75389849

IUPAC2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
SMILESO=C(CC1COCCN1C(=O)c1ccc(Cl)cn1)c1ccco1
InChIInChI=1S/C16H15ClN2O4/c17-11-3-4-13(18-9-11)16(21)19-5-7-22-10-12(19)8-14(20)15-2-1-6-23-15/h1-4,6,9,12H,5,7-8,10H2
InChIKeyVLTHWXAWTVNTLY-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.44
Rot. Bonds4

About 2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone

2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone (PubChem CID 75389849) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
PubChem CID75389849
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
SMILESO=C(CC1COCCN1C(=O)c1ccc(Cl)cn1)c1ccco1
InChIInChI=1S/C16H15ClN2O4/c17-11-3-4-13(18-9-11)16(21)19-5-7-22-10-12(19)8-14(20)15-2-1-6-23-15/h1-4,6,9,12H,5,7-8,10H2
InChIKeyVLTHWXAWTVNTLY-UHFFFAOYSA-N
XLogP2.44
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-4-(3-chloropyridine-4-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 97244027
1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone
CID 164633953
1-(furan-2-yl)-2-[(3S)-4-(2-propan-2-yl-1,3-thiazole-5-carbonyl)morpholin-3-yl]ethanone
CID 97244050
1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone
CID 97244002
N,N-diethyl-3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxamide
CID 75522328
1-(furan-2-yl)-2-[(3S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-3-yl]ethanone
CID 97244053
tert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate
CID 104624433
4-(5-chloropyridine-2-carbonyl)morpholine-3-carbonitrile
CID 71980148
1-(furan-2-yl)-2-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-3-yl]ethanone
CID 75389850
2-[(3R)-4-[2-(2,4-difluorophenyl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 97244048
(2S)-1-[(3R)-3-[2-(furan-2-yl)-2-oxoethyl]morpholin-4-yl]-2-(1-methylpyrazol-4-yl)propan-1-one
CID 97244040
2-[(3R)-4-(2-bromoprop-2-enyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 99586170

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone?
The IUPAC name of 2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone (CID 75389849) is 2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone is O=C(CC1COCCN1C(=O)c1ccc(Cl)cn1)c1ccco1.
What is the InChIKey of 2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone?
The InChIKey is VLTHWXAWTVNTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c17-11-3-4-13(18-9-11)16(21)19-5-7-22-10-12(19)8-14(20)15-2-1-6-23-15/h1-4,6,9,12H,5,7-8,10H2.
What are the key properties of 2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone?
2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone has a molecular weight of 334.76 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone is sourced from PubChem (CID 75389849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).