3-acetamido-5-chloro-1-benzofuran-2-carboxylate

C11H7ClNO4- — CID 6949708

IUPAC3-acetamido-5-chloro-1-benzofuran-2-carboxylate
SMILESCC(=O)Nc1c(C(=O)[O-])oc2ccc(Cl)cc12
InChIInChI=1S/C11H8ClNO4/c1-5(14)13-9-7-4-6(12)2-3-8(7)17-10(9)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16)/p-1
InChIKeyWDSQIXUDTWCQJO-UHFFFAOYSA-M
MW252.63 g/mol
LogP1.41
Rot. Bonds2

About 3-acetamido-5-chloro-1-benzofuran-2-carboxylate

3-acetamido-5-chloro-1-benzofuran-2-carboxylate (PubChem CID 6949708) has the molecular formula C11H7ClNO4- and a molecular weight of 252.63 g/mol. Its IUPAC name is 3-acetamido-5-chloro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name3-acetamido-5-chloro-1-benzofuran-2-carboxylate
PubChem CID6949708
Molecular FormulaC11H7ClNO4-
Molecular Weight252.63 g/mol
Exact Mass252.01
IUPAC Name3-acetamido-5-chloro-1-benzofuran-2-carboxylate
SMILESCC(=O)Nc1c(C(=O)[O-])oc2ccc(Cl)cc12
InChIInChI=1S/C11H8ClNO4/c1-5(14)13-9-7-4-6(12)2-3-8(7)17-10(9)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16)/p-1
InChIKeyWDSQIXUDTWCQJO-UHFFFAOYSA-M
XLogP1.41
TPSA82.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.63
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-[(3,5-ditert-butylbenzoyl)amino]-1-benzofuran-2-carboxylic acid
CID 175774067
3-benzamido-5-chloro-1-benzofuran-2-carboxamide
CID 19661939
3,5-dichloro-1-benzofuran-2-carboxylic acid
CID 124505874
ethyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate
CID 757717
5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride
CID 90485107
ethyl 5-chloro-3-[(2-piperidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate
CID 1281686
N-[5-chloro-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 574776
5-chloro-3-[(3,4-dimethylphenyl)methylamino]-1-benzofuran-2-carboxylic acid
CID 175773994
(2S,4S)-1-tert-butyl-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-4-hydroxypyrrolidine-2-carboxamide
CID 68983003
[2-(4-acetylanilino)-2-oxoethyl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 8554531
[1-[(2-carbamoyl-5-chloro-1-benzofuran-3-yl)amino]-2-methyl-1-oxopropan-2-yl]-(9H-fluoren-9-ylmethyl)carbamic acid
CID 67186433
N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 27843870

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-5-chloro-1-benzofuran-2-carboxylate?
The IUPAC name of 3-acetamido-5-chloro-1-benzofuran-2-carboxylate (CID 6949708) is 3-acetamido-5-chloro-1-benzofuran-2-carboxylate.
What is the SMILES notation for 3-acetamido-5-chloro-1-benzofuran-2-carboxylate?
The canonical SMILES for 3-acetamido-5-chloro-1-benzofuran-2-carboxylate is CC(=O)Nc1c(C(=O)[O-])oc2ccc(Cl)cc12.
What is the InChIKey of 3-acetamido-5-chloro-1-benzofuran-2-carboxylate?
The InChIKey is WDSQIXUDTWCQJO-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8ClNO4/c1-5(14)13-9-7-4-6(12)2-3-8(7)17-10(9)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16)/p-1.
What are the key properties of 3-acetamido-5-chloro-1-benzofuran-2-carboxylate?
3-acetamido-5-chloro-1-benzofuran-2-carboxylate has a molecular weight of 252.63 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-5-chloro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 6949708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).