N-[cyano-(2,4-dimethoxyphenyl)methyl]-2-(3,4-difluorophenyl)acetamide

C18H16F2N2O3 — CID 75378514

IUPACN-[cyano-(2,4-dimethoxyphenyl)methyl]-2-(3,4-difluorophenyl)acetamide
SMILESCOc1ccc(C(C#N)NC(=O)Cc2ccc(F)c(F)c2)c(OC)c1
InChIInChI=1S/C18H16F2N2O3/c1-24-12-4-5-13(17(9-12)25-2)16(10-21)22-18(23)8-11-3-6-14(19)15(20)7-11/h3-7,9,16H,8H2,1-2H3,(H,22,23)
InChIKeyUFNBRVZJEDPPEW-UHFFFAOYSA-N
MW346.33 g/mol
LogP2.91
Rot. Bonds6

About N-[cyano-(2,4-dimethoxyphenyl)methyl]-2-(3,4-difluorophenyl)acetamide

N-[cyano-(2,4-dimethoxyphenyl)methyl]-2-(3,4-difluorophenyl)acetamide (PubChem CID 75378514) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is N-[cyano-(2,4-dimethoxyphenyl)methyl]-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[cyano-(2,4-dimethoxyphenyl)methyl]-2-(3,4-difluorophenyl)acetamide
PubChem CID75378514
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC NameN-[cyano-(2,4-dimethoxyphenyl)methyl]-2-(3,4-difluorophenyl)acetamide
SMILESCOc1ccc(C(C#N)NC(=O)Cc2ccc(F)c(F)c2)c(OC)c1
InChIInChI=1S/C18H16F2N2O3/c1-24-12-4-5-13(17(9-12)25-2)16(10-21)22-18(23)8-11-3-6-14(19)15(20)7-11/h3-7,9,16H,8H2,1-2H3,(H,22,23)
InChIKeyUFNBRVZJEDPPEW-UHFFFAOYSA-N
XLogP2.91
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2,4-dimethoxyphenyl)methyl]-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-[cyano-(2,4-dimethoxyphenyl)methyl]-2-(3,4-difluorophenyl)acetamide (CID 75378514) is N-[cyano-(2,4-dimethoxyphenyl)methyl]-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-[cyano-(2,4-dimethoxyphenyl)methyl]-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-[cyano-(2,4-dimethoxyphenyl)methyl]-2-(3,4-difluorophenyl)acetamide is COc1ccc(C(C#N)NC(=O)Cc2ccc(F)c(F)c2)c(OC)c1.
What is the InChIKey of N-[cyano-(2,4-dimethoxyphenyl)methyl]-2-(3,4-difluorophenyl)acetamide?
The InChIKey is UFNBRVZJEDPPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c1-24-12-4-5-13(17(9-12)25-2)16(10-21)22-18(23)8-11-3-6-14(19)15(20)7-11/h3-7,9,16H,8H2,1-2H3,(H,22,23).
What are the key properties of N-[cyano-(2,4-dimethoxyphenyl)methyl]-2-(3,4-difluorophenyl)acetamide?
N-[cyano-(2,4-dimethoxyphenyl)methyl]-2-(3,4-difluorophenyl)acetamide has a molecular weight of 346.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2,4-dimethoxyphenyl)methyl]-2-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 75378514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).