N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide

C16H15F2NO3 — CID 51147930

IUPACN-benzyl-2-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccccc2)c1OC(F)F
InChIInChI=1S/C16H15F2NO3/c1-21-13-9-5-8-12(14(13)22-16(17)18)15(20)19-10-11-6-3-2-4-7-11/h2-9,16H,10H2,1H3,(H,19,20)
InChIKeyZFABGDNTJJCLFU-UHFFFAOYSA-N
MW307.30 g/mol
LogP3.23
Rot. Bonds6

About N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide

N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 51147930) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-benzyl-2-(difluoromethoxy)-3-methoxybenzamide
PubChem CID51147930
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC NameN-benzyl-2-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccccc2)c1OC(F)F
InChIInChI=1S/C16H15F2NO3/c1-21-13-9-5-8-12(14(13)22-16(17)18)15(20)19-10-11-6-3-2-4-7-11/h2-9,16H,10H2,1H3,(H,19,20)
InChIKeyZFABGDNTJJCLFU-UHFFFAOYSA-N
XLogP3.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 51158712
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
2-(difluoromethoxy)-3-methoxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 86820780
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 134022135
5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid
CID 119234605
2-(difluoromethoxy)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-methoxybenzamide
CID 55639451
N-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 55331140
2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide
CID 112762767
2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide
CID 120828025
2-(difluoromethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide
CID 86822451

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide (CID 51147930) is N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide is COc1cccc(C(=O)NCc2ccccc2)c1OC(F)F.
What is the InChIKey of N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is ZFABGDNTJJCLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3/c1-21-13-9-5-8-12(14(13)22-16(17)18)15(20)19-10-11-6-3-2-4-7-11/h2-9,16H,10H2,1H3,(H,19,20).
What are the key properties of N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide?
N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 307.30 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 51147930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).