N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide

C16H15F2NO3 — CID 110780940

IUPACN-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2cc(F)ccc2F)c1
InChIInChI=1S/C16H15F2NO3/c1-21-13-6-10(7-14(8-13)22-2)16(20)19-9-11-5-12(17)3-4-15(11)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyRLKBQSSGXHZYDW-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.91
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide

N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide (PubChem CID 110780940) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide
PubChem CID110780940
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC NameN-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2cc(F)ccc2F)c1
InChIInChI=1S/C16H15F2NO3/c1-21-13-6-10(7-14(8-13)22-2)16(20)19-9-11-5-12(17)3-4-15(11)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyRLKBQSSGXHZYDW-UHFFFAOYSA-N
XLogP2.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 110780162
N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110782194
3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide
CID 63372843
N-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide
CID 63790510
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide
CID 110788169
N-[(2,5-difluorophenyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 63373922
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 108538638
methyl 3-[(2,5-difluorophenyl)methylamino]-3-oxopropanoate
CID 115174318
3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide
CID 100680232
N-[(2,5-difluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 53166521
2-(2-aminoethoxy)-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide
CID 118769430

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide (CID 110780940) is N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCc2cc(F)ccc2F)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide?
The InChIKey is RLKBQSSGXHZYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3/c1-21-13-6-10(7-14(8-13)22-2)16(20)19-9-11-5-12(17)3-4-15(11)18/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide?
N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide has a molecular weight of 307.30 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 110780940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).