[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate

C14H12ClNO4 — CID 2430380

IUPAC[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)NCc1ccccc1Cl
InChIInChI=1S/C14H12ClNO4/c15-11-5-2-1-4-10(11)8-16-13(17)9-20-14(18)12-6-3-7-19-12/h1-7H,8-9H2,(H,16,17)
InChIKeyKLGQIERFJQNKEV-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.41
Rot. Bonds5

About [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate (PubChem CID 2430380) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
PubChem CID2430380
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)NCc1ccccc1Cl
InChIInChI=1S/C14H12ClNO4/c15-11-5-2-1-4-10(11)8-16-13(17)9-20-14(18)12-6-3-7-19-12/h1-7H,8-9H2,(H,16,17)
InChIKeyKLGQIERFJQNKEV-UHFFFAOYSA-N
XLogP2.41
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 2206515
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2381941
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2434453
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 2559682
{2-[(Furan-2-carbonyl)-amino]-acetylamino}-acetic acid 2-chloro-benzyl ester
CID 3158556
N-[(2-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6464004
N-(2-{[(2,4-dichlorophenyl)carbonyl]amino}ethyl)furan-2-carboxamide
CID 6490898
N-{3-[(2,5-dichlorobenzoyl)amino]propyl}-2-furamide
CID 6490899
5-(2,2,2-Trifluoro-ethoxymethyl)-furan-2-carboxylic acid 4-chloro-benzylamide
CID 647424
Bis(2-benzamidoethyl) furan-2,5-dicarboxylate
CID 2927045
Furan-2-carboxylic acid 1-(4-methyl-benzylcarbamoyl)-propyl ester
CID 654469
3-(4-Chloro-phenyl)-N-furan-2-ylmethyl-acrylamide
CID 692393

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate (CID 2430380) is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate is O=C(COC(=O)c1ccco1)NCc1ccccc1Cl.
What is the InChIKey of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate?
The InChIKey is KLGQIERFJQNKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c15-11-5-2-1-4-10(11)8-16-13(17)9-20-14(18)12-6-3-7-19-12/h1-7H,8-9H2,(H,16,17).
What are the key properties of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate?
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate has a molecular weight of 293.71 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 2430380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).