3-[(4-chlorophenyl)methylamino]-2H-furan-5-one

C11H10ClNO2 — CID 10585201

IUPAC3-[(4-chlorophenyl)methylamino]-2H-furan-5-one
SMILESO=C1C=C(NCc2ccc(Cl)cc2)CO1
InChIInChI=1S/C11H10ClNO2/c12-9-3-1-8(2-4-9)6-13-10-5-11(14)15-7-10/h1-5,13H,6-7H2
InChIKeyOVHGKOULGPIXDX-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.87
Rot. Bonds3

About 3-[(4-chlorophenyl)methylamino]-2H-furan-5-one

3-[(4-chlorophenyl)methylamino]-2H-furan-5-one (PubChem CID 10585201) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylamino]-2H-furan-5-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylamino]-2H-furan-5-one
PubChem CID10585201
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name3-[(4-chlorophenyl)methylamino]-2H-furan-5-one
SMILESO=C1C=C(NCc2ccc(Cl)cc2)CO1
InChIInChI=1S/C11H10ClNO2/c12-9-3-1-8(2-4-9)6-13-10-5-11(14)15-7-10/h1-5,13H,6-7H2
InChIKeyOVHGKOULGPIXDX-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-Dichlorobenzyl)amino]-1-oxaspiro[4.5]dec-3-en-2-one
CID 876259
2-ethoxyethyl (Z)-3-[(4-chlorophenyl)methylamino]-2-cyano-4-methylpent-2-enoate
CID 76318679
4-[(2,4-Dichlorophenyl)methylamino]-1-oxaspiro[4.5]dec-3-en-2-one
CID 3403589
(z)-Ethyl 3-(benzylamino)but-2-enoate
CID 11117536
2Pentenoicacid2cyano3pchlorobenzylamino4methyl2E
CID 23276465
4-(Benzylamino)-3-ethylfuran-2(5H)-one
CID 307966
4-[2-(4-Chloro-phenyl)-ethylamino]-1-oxa-spiro[4.5]dec-3-en-2-one
CID 586800
N-((4-Chlorophenyl)methyl)glycine ethyl ester
CID 5212684
Ethyl 3-benzylamino-2-butenoate
CID 563425
Ethyl 3-(benzylamino)but-2-enoate
CID 5368598
4-(benzylamino)furan-2(5H)-one
CID 13402453
methyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate
CID 11402552

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylamino]-2H-furan-5-one?
The IUPAC name of 3-[(4-chlorophenyl)methylamino]-2H-furan-5-one (CID 10585201) is 3-[(4-chlorophenyl)methylamino]-2H-furan-5-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methylamino]-2H-furan-5-one?
The canonical SMILES for 3-[(4-chlorophenyl)methylamino]-2H-furan-5-one is O=C1C=C(NCc2ccc(Cl)cc2)CO1.
What is the InChIKey of 3-[(4-chlorophenyl)methylamino]-2H-furan-5-one?
The InChIKey is OVHGKOULGPIXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c12-9-3-1-8(2-4-9)6-13-10-5-11(14)15-7-10/h1-5,13H,6-7H2.
What are the key properties of 3-[(4-chlorophenyl)methylamino]-2H-furan-5-one?
3-[(4-chlorophenyl)methylamino]-2H-furan-5-one has a molecular weight of 223.66 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylamino]-2H-furan-5-one is sourced from PubChem (CID 10585201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).