methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate

C18H14ClNO4 — CID 974608

IUPACmethyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1oc2ccc(Cl)cc2c1C
InChIInChI=1S/C18H14ClNO4/c1-10-13-9-11(19)7-8-15(13)24-16(10)17(21)20-14-6-4-3-5-12(14)18(22)23-2/h3-9H,1-2H3,(H,20,21)
InChIKeySHWRTOACRSSKQH-UHFFFAOYSA-N
MW343.77 g/mol
LogP4.43
Rot. Bonds3

About methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate

methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate (PubChem CID 974608) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
PubChem CID974608
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC Namemethyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1oc2ccc(Cl)cc2c1C
InChIInChI=1S/C18H14ClNO4/c1-10-13-9-11(19)7-8-15(13)24-16(10)17(21)20-14-6-4-3-5-12(14)18(22)23-2/h3-9H,1-2H3,(H,20,21)
InChIKeySHWRTOACRSSKQH-UHFFFAOYSA-N
XLogP4.43
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 27843870
5-chloro-N-[2-(dimethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 43063974
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434
methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 78809104
5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 55674048
5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79676953
N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344840
N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344604
methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate
CID 103763170
2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 7463653
5-bromo-N-(5-chloro-2-phenoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4543107

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate (CID 974608) is methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1oc2ccc(Cl)cc2c1C.
What is the InChIKey of methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate?
The InChIKey is SHWRTOACRSSKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c1-10-13-9-11(19)7-8-15(13)24-16(10)17(21)20-14-6-4-3-5-12(14)18(22)23-2/h3-9H,1-2H3,(H,20,21).
What are the key properties of methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate?
methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate has a molecular weight of 343.77 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate is sourced from PubChem (CID 974608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).