N-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide

C17H15F3N2O4 — CID 55551005

IUPACN-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(NC(C)=O)ccc2F)c1OC(F)F
InChIInChI=1S/C17H15F3N2O4/c1-9(23)21-10-6-7-12(18)13(8-10)22-16(24)11-4-3-5-14(25-2)15(11)26-17(19)20/h3-8,17H,1-2H3,(H,21,23)(H,22,24)
InChIKeyJMBOZEFTMHSMCN-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.65
Rot. Bonds6

About N-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide

N-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 55551005) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
PubChem CID55551005
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC NameN-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(NC(C)=O)ccc2F)c1OC(F)F
InChIInChI=1S/C17H15F3N2O4/c1-9(23)21-10-6-7-12(18)13(8-10)22-16(24)11-4-3-5-14(25-2)15(11)26-17(19)20/h3-8,17H,1-2H3,(H,21,23)(H,22,24)
InChIKeyJMBOZEFTMHSMCN-UHFFFAOYSA-N
XLogP3.65
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-(3-acetamido-4-fluorophenyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 46534566
N-(5-chloro-2-methylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 51145397
2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide
CID 51149413
N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 51148287
2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide
CID 112762767
2-(difluoromethoxy)-N-(3-ethylphenyl)-3-methoxybenzamide
CID 51143865
2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide
CID 112765648
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide
CID 26901544
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide
CID 55505645
2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 51150833
N-[2-(2-amino-2-oxoethyl)phenyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 55670050

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide (CID 55551005) is N-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide is COc1cccc(C(=O)Nc2cc(NC(C)=O)ccc2F)c1OC(F)F.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is JMBOZEFTMHSMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4/c1-9(23)21-10-6-7-12(18)13(8-10)22-16(24)11-4-3-5-14(25-2)15(11)26-17(19)20/h3-8,17H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide?
N-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 368.31 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-2-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 55551005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).