4-(difluoromethoxy)-N-[1-(2-methylphenyl)ethyl]benzamide

C17H17F2NO2 — CID 112762317

IUPAC4-(difluoromethoxy)-N-[1-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1C(C)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H17F2NO2/c1-11-5-3-4-6-15(11)12(2)20-16(21)13-7-9-14(10-8-13)22-17(18)19/h3-10,12,17H,1-2H3,(H,20,21)
InChIKeyQOTDQXTZJOVAIP-UHFFFAOYSA-N
MW305.32 g/mol
LogP4.09
Rot. Bonds5

About 4-(difluoromethoxy)-N-[1-(2-methylphenyl)ethyl]benzamide

4-(difluoromethoxy)-N-[1-(2-methylphenyl)ethyl]benzamide (PubChem CID 112762317) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[1-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[1-(2-methylphenyl)ethyl]benzamide
PubChem CID112762317
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name4-(difluoromethoxy)-N-[1-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1C(C)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H17F2NO2/c1-11-5-3-4-6-15(11)12(2)20-16(21)13-7-9-14(10-8-13)22-17(18)19/h3-10,12,17H,1-2H3,(H,20,21)
InChIKeyQOTDQXTZJOVAIP-UHFFFAOYSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 51175514
2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-[1-(2-methylphenyl)ethyl]propanamide
CID 112814957
4-acetamido-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
CID 51456710
4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 81375390
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide
CID 26618887
N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 7948910
3,4-dihydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 103955435
(3R)-3-[[4-(difluoromethoxy)benzoyl]amino]butanoic acid
CID 9454173
3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 112762358
4-ethoxy-3-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 133209826
4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837749
3-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 60638374

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[1-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[1-(2-methylphenyl)ethyl]benzamide (CID 112762317) is 4-(difluoromethoxy)-N-[1-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[1-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[1-(2-methylphenyl)ethyl]benzamide is Cc1ccccc1C(C)NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[1-(2-methylphenyl)ethyl]benzamide?
The InChIKey is QOTDQXTZJOVAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-11-5-3-4-6-15(11)12(2)20-16(21)13-7-9-14(10-8-13)22-17(18)19/h3-10,12,17H,1-2H3,(H,20,21).
What are the key properties of 4-(difluoromethoxy)-N-[1-(2-methylphenyl)ethyl]benzamide?
4-(difluoromethoxy)-N-[1-(2-methylphenyl)ethyl]benzamide has a molecular weight of 305.32 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[1-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 112762317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).