N-[2-(2-amino-2-oxoethyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide

C17H16F2N2O4 — CID 55670050

IUPACN-[2-(2-amino-2-oxoethyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2CC(N)=O)c1OC(F)F
InChIInChI=1S/C17H16F2N2O4/c1-24-13-8-4-6-11(15(13)25-17(18)19)16(23)21-12-7-3-2-5-10(12)9-14(20)22/h2-8,17H,9H2,1H3,(H2,20,22)(H,21,23)
InChIKeyIQKWUWPNAMJUFG-UHFFFAOYSA-N
MW350.32 g/mol
LogP2.58
Rot. Bonds7

About N-[2-(2-amino-2-oxoethyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide

N-[2-(2-amino-2-oxoethyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 55670050) has the molecular formula C17H16F2N2O4 and a molecular weight of 350.32 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide
PubChem CID55670050
Molecular FormulaC17H16F2N2O4
Molecular Weight350.32 g/mol
Exact Mass350.11
IUPAC NameN-[2-(2-amino-2-oxoethyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2CC(N)=O)c1OC(F)F
InChIInChI=1S/C17H16F2N2O4/c1-24-13-8-4-6-11(15(13)25-17(18)19)16(23)21-12-7-3-2-5-10(12)9-14(20)22/h2-8,17H,9H2,1H3,(H2,20,22)(H,21,23)
InChIKeyIQKWUWPNAMJUFG-UHFFFAOYSA-N
XLogP2.58
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-methoxyphenyl)methyl]benzamide
CID 51143674
N-(5-chloro-2-methylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 51145397
N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide
CID 51147930
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
N-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 55551005
2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide
CID 112765648
2-(difluoromethoxy)-N-(3-ethylphenyl)-3-methoxybenzamide
CID 51143865
N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 51148287
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 134022135
2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide
CID 51147641

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide (CID 55670050) is N-[2-(2-amino-2-oxoethyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccccc2CC(N)=O)c1OC(F)F.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is IQKWUWPNAMJUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O4/c1-24-13-8-4-6-11(15(13)25-17(18)19)16(23)21-12-7-3-2-5-10(12)9-14(20)22/h2-8,17H,9H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of N-[2-(2-amino-2-oxoethyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide?
N-[2-(2-amino-2-oxoethyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 350.32 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 55670050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).