ethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate

C15H16ClNO4 — CID 86813424

IUPACethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate
SMILESCCOC(=O)CC(C)NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H16ClNO4/c1-3-20-14(18)6-9(2)17-15(19)13-8-10-7-11(16)4-5-12(10)21-13/h4-5,7-9H,3,6H2,1-2H3,(H,17,19)
InChIKeyUVBVBINSYNBQAX-UHFFFAOYSA-N
MW309.75 g/mol
LogP3.16
Rot. Bonds5

About ethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate

ethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate (PubChem CID 86813424) has the molecular formula C15H16ClNO4 and a molecular weight of 309.75 g/mol. Its IUPAC name is ethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate
PubChem CID86813424
Molecular FormulaC15H16ClNO4
Molecular Weight309.75 g/mol
Exact Mass309.08
IUPAC Nameethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate
SMILESCCOC(=O)CC(C)NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H16ClNO4/c1-3-20-14(18)6-9(2)17-15(19)13-8-10-7-11(16)4-5-12(10)21-13/h4-5,7-9H,3,6H2,1-2H3,(H,17,19)
InChIKeyUVBVBINSYNBQAX-UHFFFAOYSA-N
XLogP3.16
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(5-chloro-1-benzofuran-2-carbonyl)amino]-3-methylbutanoate
CID 86910334
ethyl 2-(5-chloro-1-benzofuran-2-yl)acetate
CID 82645490
1-(5-chloro-1-benzofuran-2-yl)-3-(ethylamino)butan-1-one
CID 114736502
5-chloro-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 94806137
2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one
CID 114736238
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
N-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide
CID 177139933
(4S)-N-[(2S)-2-[(5-chloro-1-benzofuran-2-carbonyl)amino]propyl]-2-oxoimidazolidine-4-carboxamide
CID 166380391
5-chloro-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-1-benzofuran-2-carboxamide
CID 41010023
5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide
CID 19225413
5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide
CID 46430131
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate?
The IUPAC name of ethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate (CID 86813424) is ethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate.
What is the SMILES notation for ethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate?
The canonical SMILES for ethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate is CCOC(=O)CC(C)NC(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of ethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate?
The InChIKey is UVBVBINSYNBQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4/c1-3-20-14(18)6-9(2)17-15(19)13-8-10-7-11(16)4-5-12(10)21-13/h4-5,7-9H,3,6H2,1-2H3,(H,17,19).
What are the key properties of ethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate?
ethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate has a molecular weight of 309.75 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate is sourced from PubChem (CID 86813424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).