[5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone

C16H16ClNO3 — CID 42000409

IUPAC[5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)CCO1
InChIInChI=1S/C16H16ClNO3/c1-11-10-18(8-9-20-11)16(19)15-7-6-14(21-15)12-4-2-3-5-13(12)17/h2-7,11H,8-10H2,1H3/t11-/m1/s1
InChIKeyGJLHDJYJVOMAGP-LLVKDONJSA-N
MW305.76 g/mol
LogP3.46
Rot. Bonds2

About [5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone

[5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone (PubChem CID 42000409) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is [5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone
PubChem CID42000409
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name[5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)CCO1
InChIInChI=1S/C16H16ClNO3/c1-11-10-18(8-9-20-11)16(19)15-7-6-14(21-15)12-4-2-3-5-13(12)17/h2-7,11H,8-10H2,1H3/t11-/m1/s1
InChIKeyGJLHDJYJVOMAGP-LLVKDONJSA-N
XLogP3.46
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 18105311
1-[5-(2-chlorophenyl)furan-2-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119145
(3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 119113435
1-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021600
ethyl 1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-4-carboxylate
CID 27555148
[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 32532166
1-[5-(2-chlorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256069
1-[4-[5-(2-chlorophenyl)furan-2-carbothioyl]piperazin-1-yl]ethanone
CID 5069748
[5-(2-fluorophenyl)furan-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 167886745
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625
[5-(2-chlorophenyl)furan-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56888923
[4-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 17490081

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone?
The IUPAC name of [5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone (CID 42000409) is [5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for [5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)CCO1.
What is the InChIKey of [5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone?
The InChIKey is GJLHDJYJVOMAGP-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-11-10-18(8-9-20-11)16(19)15-7-6-14(21-15)12-4-2-3-5-13(12)17/h2-7,11H,8-10H2,1H3/t11-/m1/s1.
What are the key properties of [5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone?
[5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone has a molecular weight of 305.76 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 42000409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).