3-[5-butoxy-2-(difluoromethoxy)phenyl]-N-methylbenzamide

C19H21F2NO3 — CID 118446897

IUPAC3-[5-butoxy-2-(difluoromethoxy)phenyl]-N-methylbenzamide
SMILESCCCCOc1ccc(OC(F)F)c(-c2cccc(C(=O)NC)c2)c1
InChIInChI=1S/C19H21F2NO3/c1-3-4-10-24-15-8-9-17(25-19(20)21)16(12-15)13-6-5-7-14(11-13)18(23)22-2/h5-9,11-12,19H,3-4,10H2,1-2H3,(H,22,23)
InChIKeyNMLNDJWHONWEER-UHFFFAOYSA-N
MW349.38 g/mol
LogP4.49
Rot. Bonds8

About 3-[5-butoxy-2-(difluoromethoxy)phenyl]-N-methylbenzamide

3-[5-butoxy-2-(difluoromethoxy)phenyl]-N-methylbenzamide (PubChem CID 118446897) has the molecular formula C19H21F2NO3 and a molecular weight of 349.38 g/mol. Its IUPAC name is 3-[5-butoxy-2-(difluoromethoxy)phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[5-butoxy-2-(difluoromethoxy)phenyl]-N-methylbenzamide
PubChem CID118446897
Molecular FormulaC19H21F2NO3
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Name3-[5-butoxy-2-(difluoromethoxy)phenyl]-N-methylbenzamide
SMILESCCCCOc1ccc(OC(F)F)c(-c2cccc(C(=O)NC)c2)c1
InChIInChI=1S/C19H21F2NO3/c1-3-4-10-24-15-8-9-17(25-19(20)21)16(12-15)13-6-5-7-14(11-13)18(23)22-2/h5-9,11-12,19H,3-4,10H2,1-2H3,(H,22,23)
InChIKeyNMLNDJWHONWEER-UHFFFAOYSA-N
XLogP4.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-3-propoxybenzamide
CID 2067465
3-[2-(difluoromethoxy)-5-methylphenyl]benzamide
CID 126731000
N-(3-butoxypropyl)-3-(difluoromethoxy)benzamide
CID 78785705
4-(difluoromethoxy)-3-fluoro-N-methylbenzamide
CID 126769270
2-[(3-butoxybenzoyl)amino]-N-methylbenzamide
CID 17354046
3-butoxy-N-[[4-(methylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 28642948
3-butoxy-4-(1H-indol-5-yl)-N-methylbenzamide
CID 143227550
4-butoxy-3-(difluoromethoxy)benzamide
CID 175773492
3-butoxy-4-(difluoromethoxy)benzamide
CID 90005400
4-heptoxy-N-methylbenzamide
CID 3291691
3-(2-hydroxyethoxy)-N-octadecanoylbenzamide
CID 142668873
4-amino-3-butoxy-N-methylbenzamide
CID 63357456

Frequently Asked Questions

What is the IUPAC name of 3-[5-butoxy-2-(difluoromethoxy)phenyl]-N-methylbenzamide?
The IUPAC name of 3-[5-butoxy-2-(difluoromethoxy)phenyl]-N-methylbenzamide (CID 118446897) is 3-[5-butoxy-2-(difluoromethoxy)phenyl]-N-methylbenzamide.
What is the SMILES notation for 3-[5-butoxy-2-(difluoromethoxy)phenyl]-N-methylbenzamide?
The canonical SMILES for 3-[5-butoxy-2-(difluoromethoxy)phenyl]-N-methylbenzamide is CCCCOc1ccc(OC(F)F)c(-c2cccc(C(=O)NC)c2)c1.
What is the InChIKey of 3-[5-butoxy-2-(difluoromethoxy)phenyl]-N-methylbenzamide?
The InChIKey is NMLNDJWHONWEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO3/c1-3-4-10-24-15-8-9-17(25-19(20)21)16(12-15)13-6-5-7-14(11-13)18(23)22-2/h5-9,11-12,19H,3-4,10H2,1-2H3,(H,22,23).
What are the key properties of 3-[5-butoxy-2-(difluoromethoxy)phenyl]-N-methylbenzamide?
3-[5-butoxy-2-(difluoromethoxy)phenyl]-N-methylbenzamide has a molecular weight of 349.38 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-butoxy-2-(difluoromethoxy)phenyl]-N-methylbenzamide is sourced from PubChem (CID 118446897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).