N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide

C17H17F2NO3 — CID 42563500

IUPACN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2c(F)cccc2F)cc1OC
InChIInChI=1S/C17H17F2NO3/c1-10(11-7-8-14(22-2)15(9-11)23-3)20-17(21)16-12(18)5-4-6-13(16)19/h4-10H,1-3H3,(H,20,21)/t10-/m1/s1
InChIKeyNUIJYQNHGWZKIL-SNVBAGLBSA-N
MW321.32 g/mol
LogP3.47
Rot. Bonds5

About N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide (PubChem CID 42563500) 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]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide
PubChem CID42563500
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2c(F)cccc2F)cc1OC
InChIInChI=1S/C17H17F2NO3/c1-10(11-7-8-14(22-2)15(9-11)23-3)20-17(21)16-12(18)5-4-6-13(16)19/h4-10H,1-3H3,(H,20,21)/t10-/m1/s1
InChIKeyNUIJYQNHGWZKIL-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

2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 51954351
2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
CID 34240994
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide
CID 28560307
5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 28560234
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
N-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide
CID 26072463
N-[(1R)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide
CID 26072462
6-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide
CID 84580916
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 127121094
N-[[(2,6-difluorobenzoyl)amino]-(3-methoxy-4-phenylmethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 2421298

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide (CID 42563500) is N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide is COc1ccc([C@@H](C)NC(=O)c2c(F)cccc2F)cc1OC.
What is the InChIKey of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide?
The InChIKey is NUIJYQNHGWZKIL-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-10(11-7-8-14(22-2)15(9-11)23-3)20-17(21)16-12(18)5-4-6-13(16)19/h4-10H,1-3H3,(H,20,21)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide?
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-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]-2,6-difluorobenzamide is sourced from PubChem (CID 42563500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).