2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide

C18H18F2N2O3 — CID 113163017

IUPAC2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1ccc(F)c(F)c1)C(C)=O
InChIInChI=1S/C18H18F2N2O3/c1-12(23)22(10-13-5-3-4-6-17(13)25-2)11-18(24)21-14-7-8-15(19)16(20)9-14/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyKSFJQJNKWJOAIM-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.96
Rot. Bonds6

About 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide

2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide (PubChem CID 113163017) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide
PubChem CID113163017
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1ccc(F)c(F)c1)C(C)=O
InChIInChI=1S/C18H18F2N2O3/c1-12(23)22(10-13-5-3-4-6-17(13)25-2)11-18(24)21-14-7-8-15(19)16(20)9-14/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyKSFJQJNKWJOAIM-UHFFFAOYSA-N
XLogP2.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 113162953
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113163015
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113162989
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-chlorophenyl)acetamide
CID 113162954
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113162936
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 113163940
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113162972
N-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022256
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3,4-dimethylphenyl)acetamide
CID 113161451
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113162311
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113162310

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide (CID 113163017) is 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide is COc1ccccc1CN(CC(=O)Nc1ccc(F)c(F)c1)C(C)=O.
What is the InChIKey of 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is KSFJQJNKWJOAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-12(23)22(10-13-5-3-4-6-17(13)25-2)11-18(24)21-14-7-8-15(19)16(20)9-14/h3-9H,10-11H2,1-2H3,(H,21,24).
What are the key properties of 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide?
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 348.35 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 113163017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).