4-(3,5-dimethoxybenzoyl)-N-(1-phenylcyclopropyl)benzamide

C25H23NO4 — CID 1242491

IUPAC4-(3,5-dimethoxybenzoyl)-N-(1-phenylcyclopropyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)c2ccc(C(=O)NC3(c4ccccc4)CC3)cc2)c1
InChIInChI=1S/C25H23NO4/c1-29-21-14-19(15-22(16-21)30-2)23(27)17-8-10-18(11-9-17)24(28)26-25(12-13-25)20-6-4-3-5-7-20/h3-11,14-16H,12-13H2,1-2H3,(H,26,28)
InChIKeyBWPQJVUSEOIQEA-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.35
Rot. Bonds7

About 4-(3,5-dimethoxybenzoyl)-N-(1-phenylcyclopropyl)benzamide

4-(3,5-dimethoxybenzoyl)-N-(1-phenylcyclopropyl)benzamide (PubChem CID 1242491) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is 4-(3,5-dimethoxybenzoyl)-N-(1-phenylcyclopropyl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethoxybenzoyl)-N-(1-phenylcyclopropyl)benzamide
PubChem CID1242491
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name4-(3,5-dimethoxybenzoyl)-N-(1-phenylcyclopropyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)c2ccc(C(=O)NC3(c4ccccc4)CC3)cc2)c1
InChIInChI=1S/C25H23NO4/c1-29-21-14-19(15-22(16-21)30-2)23(27)17-8-10-18(11-9-17)24(28)26-25(12-13-25)20-6-4-3-5-7-20/h3-11,14-16H,12-13H2,1-2H3,(H,26,28)
InChIKeyBWPQJVUSEOIQEA-UHFFFAOYSA-N
XLogP4.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxybenzoyl)-N-(1-phenylcyclopropyl)benzamide?
The IUPAC name of 4-(3,5-dimethoxybenzoyl)-N-(1-phenylcyclopropyl)benzamide (CID 1242491) is 4-(3,5-dimethoxybenzoyl)-N-(1-phenylcyclopropyl)benzamide.
What is the SMILES notation for 4-(3,5-dimethoxybenzoyl)-N-(1-phenylcyclopropyl)benzamide?
The canonical SMILES for 4-(3,5-dimethoxybenzoyl)-N-(1-phenylcyclopropyl)benzamide is COc1cc(OC)cc(C(=O)c2ccc(C(=O)NC3(c4ccccc4)CC3)cc2)c1.
What is the InChIKey of 4-(3,5-dimethoxybenzoyl)-N-(1-phenylcyclopropyl)benzamide?
The InChIKey is BWPQJVUSEOIQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c1-29-21-14-19(15-22(16-21)30-2)23(27)17-8-10-18(11-9-17)24(28)26-25(12-13-25)20-6-4-3-5-7-20/h3-11,14-16H,12-13H2,1-2H3,(H,26,28).
What are the key properties of 4-(3,5-dimethoxybenzoyl)-N-(1-phenylcyclopropyl)benzamide?
4-(3,5-dimethoxybenzoyl)-N-(1-phenylcyclopropyl)benzamide has a molecular weight of 401.46 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxybenzoyl)-N-(1-phenylcyclopropyl)benzamide is sourced from PubChem (CID 1242491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).