4-(difluoromethoxy)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxybenzamide

C21H25F2NO3 — CID 18276449

IUPAC4-(difluoromethoxy)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxybenzamide
SMILESCCc1ccc(C(NC(=O)c2ccc(OC(F)F)c(OC)c2)C(C)C)cc1
InChIInChI=1S/C21H25F2NO3/c1-5-14-6-8-15(9-7-14)19(13(2)3)24-20(25)16-10-11-17(27-21(22)23)18(12-16)26-4/h6-13,19,21H,5H2,1-4H3,(H,24,25)
InChIKeyWMFXBPANLROMQK-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.99
Rot. Bonds8

About 4-(difluoromethoxy)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxybenzamide

4-(difluoromethoxy)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxybenzamide (PubChem CID 18276449) has the molecular formula C21H25F2NO3 and a molecular weight of 377.43 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxybenzamide
PubChem CID18276449
Molecular FormulaC21H25F2NO3
Molecular Weight377.43 g/mol
Exact Mass377.18
IUPAC Name4-(difluoromethoxy)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxybenzamide
SMILESCCc1ccc(C(NC(=O)c2ccc(OC(F)F)c(OC)c2)C(C)C)cc1
InChIInChI=1S/C21H25F2NO3/c1-5-14-6-8-15(9-7-14)19(13(2)3)24-20(25)16-10-11-17(27-21(22)23)18(12-16)26-4/h6-13,19,21H,5H2,1-4H3,(H,24,25)
InChIKeyWMFXBPANLROMQK-UHFFFAOYSA-N
XLogP4.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethoxy)-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methoxybenzamide
CID 46828402
N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16563652
N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]naphthalene-2-carboxamide
CID 7671180
4-(difluoromethoxy)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31235284
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
N-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46654068
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55772596
3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide
CID 133210299
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
1-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-3-propan-2-ylthiourea
CID 7978091
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxybenzamide (CID 18276449) is 4-(difluoromethoxy)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxybenzamide is CCc1ccc(C(NC(=O)c2ccc(OC(F)F)c(OC)c2)C(C)C)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxybenzamide?
The InChIKey is WMFXBPANLROMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2NO3/c1-5-14-6-8-15(9-7-14)19(13(2)3)24-20(25)16-10-11-17(27-21(22)23)18(12-16)26-4/h6-13,19,21H,5H2,1-4H3,(H,24,25).
What are the key properties of 4-(difluoromethoxy)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxybenzamide?
4-(difluoromethoxy)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxybenzamide has a molecular weight of 377.43 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxybenzamide is sourced from PubChem (CID 18276449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).