N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide

C27H25NO4 — CID 4092512

IUPACN-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
SMILESCc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C27H25NO4/c1-17(2)16-31-21-14-12-20(13-15-21)27(30)28-24-22-6-4-5-7-23(22)32-26(24)25(29)19-10-8-18(3)9-11-19/h4-15,17H,16H2,1-3H3,(H,28,30)
InChIKeyBHQIHGNBRMPNKK-UHFFFAOYSA-N
MW427.50 g/mol
LogP6.26
Rot. Bonds7

About N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide

N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide (PubChem CID 4092512) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
PubChem CID4092512
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC NameN-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
SMILESCc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C27H25NO4/c1-17(2)16-31-21-14-12-20(13-15-21)27(30)28-24-22-6-4-5-7-23(22)32-26(24)25(29)19-10-8-18(3)9-11-19/h4-15,17H,16H2,1-3H3,(H,28,30)
InChIKeyBHQIHGNBRMPNKK-UHFFFAOYSA-N
XLogP6.26
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
CID 4092513
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3450184
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide
CID 5192279
3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875380
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-3-carboxamide
CID 52904616
(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 786610
3,4,5-trimethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 3445711
2-bromo-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18847905
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3324901
3,5-dichloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-4-methoxybenzamide
CID 18848197
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 4065338
ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 16814955

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide (CID 4092512) is N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide is Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide?
The InChIKey is BHQIHGNBRMPNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c1-17(2)16-31-21-14-12-20(13-15-21)27(30)28-24-22-6-4-5-7-23(22)32-26(24)25(29)19-10-8-18(3)9-11-19/h4-15,17H,16H2,1-3H3,(H,28,30).
What are the key properties of N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide?
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide has a molecular weight of 427.50 g/mol, XLogP of 6.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 4092512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).