N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide

C19H21F2NO3 — CID 110445671

IUPACN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide
SMILESCOc1ccc(C(C)(C)CNC(=O)c2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C19H21F2NO3/c1-19(2,13-6-8-16(24-3)17(10-13)25-4)11-22-18(23)12-5-7-14(20)15(21)9-12/h5-10H,11H2,1-4H3,(H,22,23)
InChIKeyNGPAHMNABISSRJ-UHFFFAOYSA-N
MW349.38 g/mol
LogP3.69
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide

N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide (PubChem CID 110445671) has the molecular formula C19H21F2NO3 and a molecular weight of 349.38 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide
PubChem CID110445671
Molecular FormulaC19H21F2NO3
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide
SMILESCOc1ccc(C(C)(C)CNC(=O)c2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C19H21F2NO3/c1-19(2,13-6-8-16(24-3)17(10-13)25-4)11-22-18(23)12-5-7-14(20)15(21)9-12/h5-10H,11H2,1-4H3,(H,22,23)
InChIKeyNGPAHMNABISSRJ-UHFFFAOYSA-N
XLogP3.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide
CID 110441404
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide
CID 110291508
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 110441966
3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172564
4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
CID 81003078
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 119945325
4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide
CID 39700417
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 110443382
N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide
CID 155520229
1-(4-acetylphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213810
methyl 4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]carbamoylamino]benzoate
CID 113213815

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide (CID 110445671) is N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide is COc1ccc(C(C)(C)CNC(=O)c2ccc(F)c(F)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide?
The InChIKey is NGPAHMNABISSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO3/c1-19(2,13-6-8-16(24-3)17(10-13)25-4)11-22-18(23)12-5-7-14(20)15(21)9-12/h5-10H,11H2,1-4H3,(H,22,23).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide?
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide has a molecular weight of 349.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide is sourced from PubChem (CID 110445671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).