N-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide

C17H17F2NO — CID 16560846

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C17H17F2NO/c1-10-4-5-11(2)14(8-10)12(3)20-17(21)15-9-13(18)6-7-16(15)19/h4-9,12H,1-3H3,(H,20,21)
InChIKeyPCAWEXYVPXLPMG-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.07
Rot. Bonds3

About N-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide

N-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide (PubChem CID 16560846) has the molecular formula C17H17F2NO and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide
PubChem CID16560846
Molecular FormulaC17H17F2NO
Molecular Weight289.32 g/mol
Exact Mass289.13
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C17H17F2NO/c1-10-4-5-11(2)14(8-10)12(3)20-17(21)15-9-13(18)6-7-16(15)19/h4-9,12H,1-3H3,(H,20,21)
InChIKeyPCAWEXYVPXLPMG-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
CID 63110602
2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
CID 17167985
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide
CID 841056
2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 79770895
N-[2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 26752505
N-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 16549124
2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 114371335
N'-(2,5-difluorobenzoyl)-2,4-dimethylbenzohydrazide
CID 24644754
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
2-fluoro-5-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 62511341
N-[1-(4-bromophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62515712

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide (CID 16560846) is N-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide is Cc1ccc(C)c(C(C)NC(=O)c2cc(F)ccc2F)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide?
The InChIKey is PCAWEXYVPXLPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-10-4-5-11(2)14(8-10)12(3)20-17(21)15-9-13(18)6-7-16(15)19/h4-9,12H,1-3H3,(H,20,21).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide?
N-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide has a molecular weight of 289.32 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide is sourced from PubChem (CID 16560846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).