5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride

C15H17Cl2N3O4 — CID 90485107

IUPAC5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1oc2ccc(Cl)cc2c1NC(=O)CN1CCOCC1
InChIInChI=1S/C15H16ClN3O4.ClH/c16-9-1-2-11-10(7-9)13(14(23-11)15(17)21)18-12(20)8-19-3-5-22-6-4-19;/h1-2,7H,3-6,8H2,(H2,17,21)(H,18,20);1H
InChIKeyZBNUOURXOGOGRE-UHFFFAOYSA-N
MW374.22 g/mol
LogP1.88
Rot. Bonds4

About 5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride

5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 90485107) has the molecular formula C15H17Cl2N3O4 and a molecular weight of 374.22 g/mol. Its IUPAC name is 5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID90485107
Molecular FormulaC15H17Cl2N3O4
Molecular Weight374.22 g/mol
Exact Mass373.06
IUPAC Name5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1oc2ccc(Cl)cc2c1NC(=O)CN1CCOCC1
InChIInChI=1S/C15H16ClN3O4.ClH/c16-9-1-2-11-10(7-9)13(14(23-11)15(17)21)18-12(20)8-19-3-5-22-6-4-19;/h1-2,7H,3-6,8H2,(H2,17,21)(H,18,20);1H
InChIKeyZBNUOURXOGOGRE-UHFFFAOYSA-N
XLogP1.88
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
(3R)-N-(2-carbamoyl-5-chloro-1-benzofuran-3-yl)-3-morpholin-4-ylpyrrolidine-1-carboxamide
CID 11964121
3-benzamido-5-chloro-1-benzofuran-2-carboxamide
CID 19661939
ethyl 3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxylate
CID 568026
N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide
CID 62987910
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337
6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 18775293
N-[5-bromo-2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-pyrrolidin-1-ylacetamide
CID 1254089
(2-morpholin-4-yl-2-oxoethyl) 5-chloro-3-methyl-1-benzofuran-2-carboxylate
CID 8554196
3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 119840811
N-(2-acetyl-1-benzofuran-3-yl)-2-piperidin-1-ylacetamide;hydrochloride
CID 2916581

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride (CID 90485107) is 5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride is Cl.NC(=O)c1oc2ccc(Cl)cc2c1NC(=O)CN1CCOCC1.
What is the InChIKey of 5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is ZBNUOURXOGOGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4.ClH/c16-9-1-2-11-10(7-9)13(14(23-11)15(17)21)18-12(20)8-19-3-5-22-6-4-19;/h1-2,7H,3-6,8H2,(H2,17,21)(H,18,20);1H.
What are the key properties of 5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride?
5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 374.22 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 90485107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).