6-chloro-N-[2-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-2-oxoethyl]-2H-chromene-4-carboxamide

C23H22ClNO5 — CID 141351648

IUPAC6-chloro-N-[2-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-2-oxoethyl]-2H-chromene-4-carboxamide
SMILESCOc1cc(C(=O)CNC(=O)C2=CCOc3ccc(Cl)cc32)cc2c1OC(C)(C)C2
InChIInChI=1S/C23H22ClNO5/c1-23(2)11-14-8-13(9-20(28-3)21(14)30-23)18(26)12-25-22(27)16-6-7-29-19-5-4-15(24)10-17(16)19/h4-6,8-10H,7,11-12H2,1-3H3,(H,25,27)
InChIKeyDUJORZYECBYTOZ-UHFFFAOYSA-N
MW427.88 g/mol
LogP3.84
Rot. Bonds5

About 6-chloro-N-[2-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-2-oxoethyl]-2H-chromene-4-carboxamide

6-chloro-N-[2-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-2-oxoethyl]-2H-chromene-4-carboxamide (PubChem CID 141351648) has the molecular formula C23H22ClNO5 and a molecular weight of 427.88 g/mol. Its IUPAC name is 6-chloro-N-[2-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-2-oxoethyl]-2H-chromene-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-2-oxoethyl]-2H-chromene-4-carboxamide
PubChem CID141351648
Molecular FormulaC23H22ClNO5
Molecular Weight427.88 g/mol
Exact Mass427.12
IUPAC Name6-chloro-N-[2-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-2-oxoethyl]-2H-chromene-4-carboxamide
SMILESCOc1cc(C(=O)CNC(=O)C2=CCOc3ccc(Cl)cc32)cc2c1OC(C)(C)C2
InChIInChI=1S/C23H22ClNO5/c1-23(2)11-14-8-13(9-20(28-3)21(14)30-23)18(26)12-25-22(27)16-6-7-29-19-5-4-15(24)10-17(16)19/h4-6,8-10H,7,11-12H2,1-3H3,(H,25,27)
InChIKeyDUJORZYECBYTOZ-UHFFFAOYSA-N
XLogP3.84
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.88
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-6-methyl-2H-chromene-4-carboxamide
CID 141388517
methyl 7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-carboxylate
CID 59560140
2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide
CID 110161411
2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-N-propan-2-yl-3H-1-benzofuran-5-carboxamide
CID 110167508
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805242
2-[(4-chlorophenyl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide
CID 110167500
5-chloro-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-methoxybenzamide
CID 108765396
2-[[2-[(4-chlorophenyl)methyl]-7-methoxy-2-methyl-3H-1-benzofuran-5-carbonyl]-(2-phenylethyl)amino]acetic acid
CID 110077050
2-[(4-chloro-3-fluorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide
CID 110165210
3-[[2-[(4-chlorophenyl)methyl]-7-methoxy-2-methyl-3H-1-benzofuran-5-carbonyl]-(2,2-diphenylethyl)amino]propanoic acid
CID 132769576
ethyl (2Z)-2-(7-chloro-3,3-dimethyl-4H-isochromen-1-ylidene)acetate
CID 135058909
(2S)-2-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide
CID 125010726

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-2-oxoethyl]-2H-chromene-4-carboxamide?
The IUPAC name of 6-chloro-N-[2-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-2-oxoethyl]-2H-chromene-4-carboxamide (CID 141351648) is 6-chloro-N-[2-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-2-oxoethyl]-2H-chromene-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-2-oxoethyl]-2H-chromene-4-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-2-oxoethyl]-2H-chromene-4-carboxamide is COc1cc(C(=O)CNC(=O)C2=CCOc3ccc(Cl)cc32)cc2c1OC(C)(C)C2.
What is the InChIKey of 6-chloro-N-[2-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-2-oxoethyl]-2H-chromene-4-carboxamide?
The InChIKey is DUJORZYECBYTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO5/c1-23(2)11-14-8-13(9-20(28-3)21(14)30-23)18(26)12-25-22(27)16-6-7-29-19-5-4-15(24)10-17(16)19/h4-6,8-10H,7,11-12H2,1-3H3,(H,25,27).
What are the key properties of 6-chloro-N-[2-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-2-oxoethyl]-2H-chromene-4-carboxamide?
6-chloro-N-[2-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-2-oxoethyl]-2H-chromene-4-carboxamide has a molecular weight of 427.88 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-2-oxoethyl]-2H-chromene-4-carboxamide is sourced from PubChem (CID 141351648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).