N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide

C16H15F2NO3 — CID 110782194

IUPACN-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2ccc(F)cc2F)c1
InChIInChI=1S/C16H15F2NO3/c1-21-13-5-11(6-14(8-13)22-2)16(20)19-9-10-3-4-12(17)7-15(10)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyMMKBLESFDPSUFM-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.91
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide

N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide (PubChem CID 110782194) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide
PubChem CID110782194
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC NameN-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2ccc(F)cc2F)c1
InChIInChI=1S/C16H15F2NO3/c1-21-13-5-11(6-14(8-13)22-2)16(20)19-9-10-3-4-12(17)7-15(10)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyMMKBLESFDPSUFM-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-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110780940
N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 110780162
N-[(2,4-difluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 110782201
N-[(2,4-difluorophenyl)methyl]-4-iodobenzamide
CID 60739464
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 108538638
3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide
CID 100680232
N-[(2,4-difluorophenyl)methyl]anthracene-2-carboxamide
CID 87769035
4-carbamothioyl-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62063820
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091
4-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62228707
3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid
CID 62229810
N-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide
CID 110783290

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide (CID 110782194) is N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCc2ccc(F)cc2F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide?
The InChIKey is MMKBLESFDPSUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3/c1-21-13-5-11(6-14(8-13)22-2)16(20)19-9-10-3-4-12(17)7-15(10)18/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide?
N-[(2,4-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-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 110782194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).