[5-(2,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone

C15H13Cl2NO3 — CID 919410

IUPAC[5-(2,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCOCC1
InChIInChI=1S/C15H13Cl2NO3/c16-10-1-2-11(12(17)9-10)13-3-4-14(21-13)15(19)18-5-7-20-8-6-18/h1-4,9H,5-8H2
InChIKeyZABMJBWARCLXNA-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.73
Rot. Bonds2

About [5-(2,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone

[5-(2,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone (PubChem CID 919410) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is [5-(2,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(2,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone
PubChem CID919410
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name[5-(2,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCOCC1
InChIInChI=1S/C15H13Cl2NO3/c16-10-1-2-11(12(17)9-10)13-3-4-14(21-13)15(19)18-5-7-20-8-6-18/h1-4,9H,5-8H2
InChIKeyZABMJBWARCLXNA-UHFFFAOYSA-N
XLogP3.73
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-(2,4-Dichlorophenyl)furan-2-yl)(pyrrolidin-1-yl)methanethione
CID 936298
1-[5-(4-Chlorophenyl)-2-furoyl]piperazine
CID 24857857
5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 44182306
5-[(4-chloro-3-methylphenoxy)methyl]-N,N-diethylfuran-2-carboxamide
CID 892508
1-{[5-(4-Chlorophenyl)-2-furyl]methyl}piperidine
CID 782099
[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2335760
5-(3-chlorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 944598
4-[5-(2,3-Dichlorophenyl)-2-furoyl]morpholine
CID 952243
4-[5-(2,5-Dichlorophenyl)furan-2-carbonyl]morpholine
CID 1084406
N-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 2206515
[5-(2-Chlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 4494608
N-(2-{[(2,4-dichlorophenyl)carbonyl]amino}ethyl)furan-2-carboxamide
CID 6490898

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(2,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone (CID 919410) is [5-(2,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(2,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(2,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCOCC1.
What is the InChIKey of [5-(2,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone?
The InChIKey is ZABMJBWARCLXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c16-10-1-2-11(12(17)9-10)13-3-4-14(21-13)15(19)18-5-7-20-8-6-18/h1-4,9H,5-8H2.
What are the key properties of [5-(2,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone?
[5-(2,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone has a molecular weight of 326.18 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 919410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).