N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide

C18H19F2NO3 — CID 46513201

IUPACN-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(OC)cc(C(=O)N(C)C(C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C18H19F2NO3/c1-11(12-5-6-16(19)17(20)9-12)21(2)18(22)13-7-14(23-3)10-15(8-13)24-4/h5-11H,1-4H3
InChIKeyQPMVRLGIWSKXFG-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.82
Rot. Bonds5

About N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide

N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide (PubChem CID 46513201) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
PubChem CID46513201
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(OC)cc(C(=O)N(C)C(C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C18H19F2NO3/c1-11(12-5-6-16(19)17(20)9-12)21(2)18(22)13-7-14(23-3)10-15(8-13)24-4/h5-11H,1-4H3
InChIKeyQPMVRLGIWSKXFG-UHFFFAOYSA-N
XLogP3.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253856
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide
CID 55509693
methyl 5-[1-(3,4-difluorophenyl)ethyl-methylcarbamoyl]thiophene-2-carboxylate
CID 134050445
3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide
CID 86920278
tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788322
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
CID 60952393
N-[1-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62732806
5-[[(1S)-1-(3,4-difluorophenyl)ethyl]-methylcarbamoyl]furan-2-carboxylic acid
CID 99851695
5-[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylcarbamoyl]furan-2-carboxylic acid
CID 99851696
N-[1-(3,4-difluorophenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 55509545
methyl 5-[1-(3,4-difluorophenyl)ethyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 46513083
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide
CID 55731326

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide (CID 46513201) is N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide is COc1cc(OC)cc(C(=O)N(C)C(C)c2ccc(F)c(F)c2)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide?
The InChIKey is QPMVRLGIWSKXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c1-11(12-5-6-16(19)17(20)9-12)21(2)18(22)13-7-14(23-3)10-15(8-13)24-4/h5-11H,1-4H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide?
N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide has a molecular weight of 335.35 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 46513201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).