N-(4-chloro-2,6-dimethylphenyl)-2-fluoro-4,5-dimethoxybenzamide

C17H17ClFNO3 — CID 75388476

IUPACN-(4-chloro-2,6-dimethylphenyl)-2-fluoro-4,5-dimethoxybenzamide
SMILESCOc1cc(F)c(C(=O)Nc2c(C)cc(Cl)cc2C)cc1OC
InChIInChI=1S/C17H17ClFNO3/c1-9-5-11(18)6-10(2)16(9)20-17(21)12-7-14(22-3)15(23-4)8-13(12)19/h5-8H,1-4H3,(H,20,21)
InChIKeyVRGVPNNDMQUAOR-UHFFFAOYSA-N
MW337.78 g/mol
LogP4.37
Rot. Bonds4

About N-(4-chloro-2,6-dimethylphenyl)-2-fluoro-4,5-dimethoxybenzamide

N-(4-chloro-2,6-dimethylphenyl)-2-fluoro-4,5-dimethoxybenzamide (PubChem CID 75388476) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is N-(4-chloro-2,6-dimethylphenyl)-2-fluoro-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-2,6-dimethylphenyl)-2-fluoro-4,5-dimethoxybenzamide
PubChem CID75388476
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC NameN-(4-chloro-2,6-dimethylphenyl)-2-fluoro-4,5-dimethoxybenzamide
SMILESCOc1cc(F)c(C(=O)Nc2c(C)cc(Cl)cc2C)cc1OC
InChIInChI=1S/C17H17ClFNO3/c1-9-5-11(18)6-10(2)16(9)20-17(21)12-7-14(22-3)15(23-4)8-13(12)19/h5-8H,1-4H3,(H,20,21)
InChIKeyVRGVPNNDMQUAOR-UHFFFAOYSA-N
XLogP4.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide
CID 61073474
5-cyclopentyloxy-N-(3,5-dimethyl-4-pyridinyl)-2-fluoro-4-methoxybenzamide
CID 22145816
5-bromo-4-chloro-2-fluoro-N-(2-methoxy-6-methylphenyl)benzamide
CID 68602705
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
5-cyclopentyloxy-N-(2,6-difluorophenyl)-2-fluoro-4-methoxybenzamide
CID 22145684
N-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide
CID 119382400
2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide
CID 27669456
N-(2-chloro-4,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 18139978
N-(5-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzamide
CID 79770618
N-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide
CID 26881977
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane
CID 156737682

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,6-dimethylphenyl)-2-fluoro-4,5-dimethoxybenzamide?
The IUPAC name of N-(4-chloro-2,6-dimethylphenyl)-2-fluoro-4,5-dimethoxybenzamide (CID 75388476) is N-(4-chloro-2,6-dimethylphenyl)-2-fluoro-4,5-dimethoxybenzamide.
What is the SMILES notation for N-(4-chloro-2,6-dimethylphenyl)-2-fluoro-4,5-dimethoxybenzamide?
The canonical SMILES for N-(4-chloro-2,6-dimethylphenyl)-2-fluoro-4,5-dimethoxybenzamide is COc1cc(F)c(C(=O)Nc2c(C)cc(Cl)cc2C)cc1OC.
What is the InChIKey of N-(4-chloro-2,6-dimethylphenyl)-2-fluoro-4,5-dimethoxybenzamide?
The InChIKey is VRGVPNNDMQUAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3/c1-9-5-11(18)6-10(2)16(9)20-17(21)12-7-14(22-3)15(23-4)8-13(12)19/h5-8H,1-4H3,(H,20,21).
What are the key properties of N-(4-chloro-2,6-dimethylphenyl)-2-fluoro-4,5-dimethoxybenzamide?
N-(4-chloro-2,6-dimethylphenyl)-2-fluoro-4,5-dimethoxybenzamide has a molecular weight of 337.78 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,6-dimethylphenyl)-2-fluoro-4,5-dimethoxybenzamide is sourced from PubChem (CID 75388476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).