N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide

C17H17F2NO3 — CID 28560307

IUPACN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc(F)ccc2F)cc1OC
InChIInChI=1S/C17H17F2NO3/c1-10(11-4-7-15(22-2)16(8-11)23-3)20-17(21)13-9-12(18)5-6-14(13)19/h4-10H,1-3H3,(H,20,21)/t10-/m1/s1
InChIKeyQWMQRKIGFYQTHR-SNVBAGLBSA-N
MW321.32 g/mol
LogP3.47
Rot. Bonds5

About N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide (PubChem CID 28560307) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide
PubChem CID28560307
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc(F)ccc2F)cc1OC
InChIInChI=1S/C17H17F2NO3/c1-10(11-4-7-15(22-2)16(8-11)23-3)20-17(21)13-9-12(18)5-6-14(13)19/h4-10H,1-3H3,(H,20,21)/t10-/m1/s1
InChIKeyQWMQRKIGFYQTHR-SNVBAGLBSA-N
XLogP3.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide
CID 42563500
5-acetamido-2-fluoro-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide
CID 60567782
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 16574257
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,5-difluorobenzamide
CID 78803541
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
CID 134059754
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide
CID 108510021
2-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794579
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide (CID 28560307) is N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide is COc1ccc([C@@H](C)NC(=O)c2cc(F)ccc2F)cc1OC.
What is the InChIKey of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide?
The InChIKey is QWMQRKIGFYQTHR-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-10(11-4-7-15(22-2)16(8-11)23-3)20-17(21)13-9-12(18)5-6-14(13)19/h4-10H,1-3H3,(H,20,21)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide?
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide has a molecular weight of 321.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide is sourced from PubChem (CID 28560307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).