2-(difluoromethyl)-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide

C15H21F2NO3 — CID 141152201

IUPAC2-(difluoromethyl)-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
SMILESCOCCCOc1cccc(C(=O)NC(C)C)c1C(F)F
InChIInChI=1S/C15H21F2NO3/c1-10(2)18-15(19)11-6-4-7-12(13(11)14(16)17)21-9-5-8-20-3/h4,6-7,10,14H,5,8-9H2,1-3H3,(H,18,19)
InChIKeyBEDGGFLFACTCTQ-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.18
Rot. Bonds8

About 2-(difluoromethyl)-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide

2-(difluoromethyl)-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide (PubChem CID 141152201) has the molecular formula C15H21F2NO3 and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-(difluoromethyl)-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
PubChem CID141152201
Molecular FormulaC15H21F2NO3
Molecular Weight301.33 g/mol
Exact Mass301.15
IUPAC Name2-(difluoromethyl)-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
SMILESCOCCCOc1cccc(C(=O)NC(C)C)c1C(F)F
InChIInChI=1S/C15H21F2NO3/c1-10(2)18-15(19)11-6-4-7-12(13(11)14(16)17)21-9-5-8-20-3/h4,6-7,10,14H,5,8-9H2,1-3H3,(H,18,19)
InChIKeyBEDGGFLFACTCTQ-UHFFFAOYSA-N
XLogP3.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.18
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

1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 113389088
2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4941111
1-[2-(difluoromethyl)-3-methoxyphenyl]ethanone
CID 84669251
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethoxy)benzamide
CID 60566958
2-chloro-1-[2-(difluoromethyl)-3-methoxyphenyl]propan-1-one
CID 134619518
4-(2-fluorophenyl)-5-(3-methoxypropoxy)-N-propan-2-yl-2-[(E)-prop-1-enyl]benzamide
CID 143814306
(2S)-2-amino-N-[2-(3-methoxypropoxy)phenyl]propanamide;hydrochloride
CID 119302241
methyl 2-amino-6-(3-methoxypropoxy)benzoate
CID 107341764
ethyl 2-(3-methoxypropoxy)benzoate
CID 54075069
2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 153307876
3-(3-methoxypropoxy)-N-propan-2-yl-4-sulfanylbenzamide;2-methylbutane
CID 143814342
2-(4-methoxybutoxy)benzamide;dihydrochloride
CID 140972471

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide?
The IUPAC name of 2-(difluoromethyl)-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide (CID 141152201) is 2-(difluoromethyl)-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-(difluoromethyl)-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide?
The canonical SMILES for 2-(difluoromethyl)-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide is COCCCOc1cccc(C(=O)NC(C)C)c1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide?
The InChIKey is BEDGGFLFACTCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO3/c1-10(2)18-15(19)11-6-4-7-12(13(11)14(16)17)21-9-5-8-20-3/h4,6-7,10,14H,5,8-9H2,1-3H3,(H,18,19).
What are the key properties of 2-(difluoromethyl)-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide?
2-(difluoromethyl)-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide has a molecular weight of 301.33 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide is sourced from PubChem (CID 141152201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).