3-[(2,5-dichlorobenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide

C24H18Cl2N2O5 — CID 16818010

IUPAC3-[(2,5-dichlorobenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C24H18Cl2N2O5/c1-31-14-8-10-20(32-2)18(12-14)27-24(30)22-21(15-5-3-4-6-19(15)33-22)28-23(29)16-11-13(25)7-9-17(16)26/h3-12H,1-2H3,(H,27,30)(H,28,29)
InChIKeyMQTPUFGHXLDTLW-UHFFFAOYSA-N
MW485.32 g/mol
LogP6.26
Rot. Bonds6

About 3-[(2,5-dichlorobenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide

3-[(2,5-dichlorobenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide (PubChem CID 16818010) has the molecular formula C24H18Cl2N2O5 and a molecular weight of 485.32 g/mol. Its IUPAC name is 3-[(2,5-dichlorobenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(2,5-dichlorobenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
PubChem CID16818010
Molecular FormulaC24H18Cl2N2O5
Molecular Weight485.32 g/mol
Exact Mass484.06
IUPAC Name3-[(2,5-dichlorobenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C24H18Cl2N2O5/c1-31-14-8-10-20(32-2)18(12-14)27-24(30)22-21(15-5-3-4-6-19(15)33-22)28-23(29)16-11-13(25)7-9-17(16)26/h3-12H,1-2H3,(H,27,30)(H,28,29)
InChIKeyMQTPUFGHXLDTLW-UHFFFAOYSA-N
XLogP6.26
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.32
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-bromofuran-2-carbonyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 16818067
ethyl 3-[(5-chloro-2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117043
2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide
CID 5126605
2,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 965623
6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 7223522
N-(2,4-dimethoxyphenyl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide
CID 16814944
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-fluorobenzamide
CID 18848021
2-chloro-N-(2,5-dimethoxyphenyl)-5-pyrrol-1-ylbenzamide
CID 39336179
2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
CID 4077998
3-[(2-cyclopentylacetyl)amino]-N-(2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7160217
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767
3-(cyclohexylsulfanylmethyl)-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7962711

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorobenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(2,5-dichlorobenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide (CID 16818010) is 3-[(2,5-dichlorobenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(2,5-dichlorobenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(2,5-dichlorobenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide is COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-[(2,5-dichlorobenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is MQTPUFGHXLDTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O5/c1-31-14-8-10-20(32-2)18(12-14)27-24(30)22-21(15-5-3-4-6-19(15)33-22)28-23(29)16-11-13(25)7-9-17(16)26/h3-12H,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 3-[(2,5-dichlorobenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide?
3-[(2,5-dichlorobenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 485.32 g/mol, XLogP of 6.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorobenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16818010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).