3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide

C18H19F2NO4 — CID 55739120

IUPAC3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCOc2ccccc2)cc1OC(F)F
InChIInChI=1S/C18H19F2NO4/c1-23-15-9-8-13(12-16(15)25-18(19)20)17(22)21-10-5-11-24-14-6-3-2-4-7-14/h2-4,6-9,12,18H,5,10-11H2,1H3,(H,21,22)
InChIKeyCKVNRKVHVVIQEA-UHFFFAOYSA-N
MW351.35 g/mol
LogP3.50
Rot. Bonds9

About 3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide

3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide (PubChem CID 55739120) has the molecular formula C18H19F2NO4 and a molecular weight of 351.35 g/mol. Its IUPAC name is 3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide
PubChem CID55739120
Molecular FormulaC18H19F2NO4
Molecular Weight351.35 g/mol
Exact Mass351.13
IUPAC Name3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCOc2ccccc2)cc1OC(F)F
InChIInChI=1S/C18H19F2NO4/c1-23-15-9-8-13(12-16(15)25-18(19)20)17(22)21-10-5-11-24-14-6-3-2-4-7-14/h2-4,6-9,12,18H,5,10-11H2,1H3,(H,21,22)
InChIKeyCKVNRKVHVVIQEA-UHFFFAOYSA-N
XLogP3.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 46489928
5-[[3-(difluoromethoxy)-4-methoxybenzoyl]amino]pentanoic acid
CID 119234202
N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119383172
3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
CID 55431173
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454
3-(difluoromethoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxybenzamide
CID 55741143
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
2-[2-[[3-(difluoromethoxy)-4-methoxybenzoyl]amino]ethylsulfanyl]acetic acid
CID 119241438
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide
CID 4065417
3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide
CID 86836580
3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide
CID 46492035

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide (CID 55739120) is 3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide is COc1ccc(C(=O)NCCCOc2ccccc2)cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide?
The InChIKey is CKVNRKVHVVIQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO4/c1-23-15-9-8-13(12-16(15)25-18(19)20)17(22)21-10-5-11-24-14-6-3-2-4-7-14/h2-4,6-9,12,18H,5,10-11H2,1H3,(H,21,22).
What are the key properties of 3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide?
3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide has a molecular weight of 351.35 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide is sourced from PubChem (CID 55739120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).