N-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorophenoxy)acetamide

C17H17FN2O3 — CID 7834460

IUPACN-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorophenoxy)acetamide
SMILESCc1ccc(NC(=O)NC(=O)COc2cccc(F)c2)c(C)c1
InChIInChI=1S/C17H17FN2O3/c1-11-6-7-15(12(2)8-11)19-17(22)20-16(21)10-23-14-5-3-4-13(18)9-14/h3-9H,10H2,1-2H3,(H2,19,20,21,22)
InChIKeyZCLNFSDWZCZYBG-UHFFFAOYSA-N
MW316.33 g/mol
LogP3.17
Rot. Bonds4

About N-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorophenoxy)acetamide

N-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorophenoxy)acetamide (PubChem CID 7834460) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorophenoxy)acetamide
PubChem CID7834460
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorophenoxy)acetamide
SMILESCc1ccc(NC(=O)NC(=O)COc2cccc(F)c2)c(C)c1
InChIInChI=1S/C17H17FN2O3/c1-11-6-7-15(12(2)8-11)19-17(22)20-16(21)10-23-14-5-3-4-13(18)9-14/h3-9H,10H2,1-2H3,(H2,19,20,21,22)
InChIKeyZCLNFSDWZCZYBG-UHFFFAOYSA-N
XLogP3.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate
CID 2523545
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7889939
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 40706651
2-(3-aminophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 39107625
N-[(2,4-dimethylphenyl)carbamoyl]-2-(2-iodophenoxy)acetamide
CID 38879134
2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 112977615
2-(2-acetylphenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 112781528
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8527827
2-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethoxy]benzamide
CID 7199369
N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191
2-(2,4-dibromophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2632532
2-(2,4-dichlorophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2500686

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorophenoxy)acetamide (CID 7834460) is N-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorophenoxy)acetamide is Cc1ccc(NC(=O)NC(=O)COc2cccc(F)c2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorophenoxy)acetamide?
The InChIKey is ZCLNFSDWZCZYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-11-6-7-15(12(2)8-11)19-17(22)20-16(21)10-23-14-5-3-4-13(18)9-14/h3-9H,10H2,1-2H3,(H2,19,20,21,22).
What are the key properties of N-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorophenoxy)acetamide?
N-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorophenoxy)acetamide has a molecular weight of 316.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 7834460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).