N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide

C19H22FNO3 — CID 110441404

IUPACN-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)(C)c2ccccc2F)cc1OC
InChIInChI=1S/C19H22FNO3/c1-19(2,14-7-5-6-8-15(14)20)12-21-18(22)13-9-10-16(23-3)17(11-13)24-4/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyVJCLYHJLCGZVSD-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.55
Rot. Bonds6

About N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide

N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide (PubChem CID 110441404) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide
PubChem CID110441404
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC NameN-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)(C)c2ccccc2F)cc1OC
InChIInChI=1S/C19H22FNO3/c1-19(2,14-7-5-6-8-15(14)20)12-21-18(22)13-9-10-16(23-3)17(11-13)24-4/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyVJCLYHJLCGZVSD-UHFFFAOYSA-N
XLogP3.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-methoxybenzamide
CID 52834676
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide
CID 110445671
2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 90599157
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide
CID 39700417
3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701119
4-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 90599067
N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide
CID 106141080
N-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide
CID 4612534
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide
CID 110291508
N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41410915
3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166529

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide (CID 110441404) is N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(C)(C)c2ccccc2F)cc1OC.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide?
The InChIKey is VJCLYHJLCGZVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-19(2,14-7-5-6-8-15(14)20)12-21-18(22)13-9-10-16(23-3)17(11-13)24-4/h5-11H,12H2,1-4H3,(H,21,22).
What are the key properties of N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide?
N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide has a molecular weight of 331.39 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 110441404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).