4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide

C17H17F2NO2 — CID 27837749

IUPAC4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1CCNC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H17F2NO2/c1-12-4-2-3-5-13(12)10-11-20-16(21)14-6-8-15(9-7-14)22-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21)
InChIKeyHNKKNHUFSKCJHE-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.57
Rot. Bonds6

About 4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide

4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide (PubChem CID 27837749) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide
PubChem CID27837749
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1CCNC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H17F2NO2/c1-12-4-2-3-5-13(12)10-11-20-16(21)14-6-8-15(9-7-14)22-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21)
InChIKeyHNKKNHUFSKCJHE-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
CID 7997620
4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide
CID 40650902
N-[2-(1-benzothiophen-3-yl)ethyl]-4-(difluoromethoxy)benzamide
CID 112837108
2-[4-(difluoromethoxy)phenyl]-N-[(2-methylphenyl)methyl]acetamide
CID 33181859
4-(difluoromethoxy)-N-[2-(N-methylanilino)ethyl]benzamide
CID 25394977
N-(2-hydroxyethyl)-4-[3-(2-methylphenyl)propoxy]benzamide
CID 111974563
4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide
CID 14959961
2-(4-methylphenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114534
N-[2-(2-methylphenyl)ethyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 27164026
4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide
CID 27746715
4-(acetamidomethyl)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 18195087
N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 27646459

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide (CID 27837749) is 4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide is Cc1ccccc1CCNC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide?
The InChIKey is HNKKNHUFSKCJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-12-4-2-3-5-13(12)10-11-20-16(21)14-6-8-15(9-7-14)22-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21).
What are the key properties of 4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide?
4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide has a molecular weight of 305.32 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 27837749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).