[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate

C15H14ClNO5 — CID 2629968

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCC(=O)NCc1ccco1
InChIInChI=1S/C15H14ClNO5/c1-20-13-5-4-10(16)7-12(13)15(19)22-9-14(18)17-8-11-3-2-6-21-11/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyAKNSSMUJSDJMMB-UHFFFAOYSA-N
MW323.73 g/mol
LogP2.41
Rot. Bonds6

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate (PubChem CID 2629968) has the molecular formula C15H14ClNO5 and a molecular weight of 323.73 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
PubChem CID2629968
Molecular FormulaC15H14ClNO5
Molecular Weight323.73 g/mol
Exact Mass323.06
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)OCC(=O)NCc1ccco1
InChIInChI=1S/C15H14ClNO5/c1-20-13-5-4-10(16)7-12(13)15(19)22-9-14(18)17-8-11-3-2-6-21-11/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyAKNSSMUJSDJMMB-UHFFFAOYSA-N
XLogP2.41
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 2365239
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2629966
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7582114
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614690
[2-[(2-bromophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 50929762
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2098575
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2084919
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 8847676
[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 5-chloro-2-methoxybenzoate
CID 55465016
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate
CID 7229191
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7486908
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 6493708

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate (CID 2629968) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate is COc1ccc(Cl)cc1C(=O)OCC(=O)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
The InChIKey is AKNSSMUJSDJMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO5/c1-20-13-5-4-10(16)7-12(13)15(19)22-9-14(18)17-8-11-3-2-6-21-11/h2-7H,8-9H2,1H3,(H,17,18).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate has a molecular weight of 323.73 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate is sourced from PubChem (CID 2629968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).