2-(3-chloro-4-fluorophenoxy)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide

C17H14ClFN4O2S — CID 134003332

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide
SMILESCn1cnnc1Sc1ccc(NC(=O)COc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H14ClFN4O2S/c1-23-10-20-22-17(23)26-13-5-2-11(3-6-13)21-16(24)9-25-12-4-7-15(19)14(18)8-12/h2-8,10H,9H2,1H3,(H,21,24)
InChIKeyDESZXQJWWDCNRP-UHFFFAOYSA-N
MW392.84 g/mol
LogP3.78
Rot. Bonds6

About 2-(3-chloro-4-fluorophenoxy)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide

2-(3-chloro-4-fluorophenoxy)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide (PubChem CID 134003332) has the molecular formula C17H14ClFN4O2S and a molecular weight of 392.84 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide
PubChem CID134003332
Molecular FormulaC17H14ClFN4O2S
Molecular Weight392.84 g/mol
Exact Mass392.05
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide
SMILESCn1cnnc1Sc1ccc(NC(=O)COc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H14ClFN4O2S/c1-23-10-20-22-17(23)26-13-5-2-11(3-6-13)21-16(24)9-25-12-4-7-15(19)14(18)8-12/h2-8,10H,9H2,1H3,(H,21,24)
InChIKeyDESZXQJWWDCNRP-UHFFFAOYSA-N
XLogP3.78
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-chloro-4-fluorophenoxy)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide with MolForge

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide
CID 55473008
4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide
CID 2559686
2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide
CID 8579924
N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 134002141
2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 134002158
2-(3-chloro-4-fluorophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 42033743
N-(4-chlorophenyl)-2-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxopyran-3-yl]oxyacetamide
CID 16800629
N-(3-chloro-4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 2709063
2-(3-chloro-4-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7751222
2-[3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]pyrazol-1-yl]acetic acid
CID 99599043
N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide
CID 2215496
3-(2-ethoxyphenyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide
CID 55493215

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide (CID 134003332) is 2-(3-chloro-4-fluorophenoxy)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide is Cn1cnnc1Sc1ccc(NC(=O)COc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide?
The InChIKey is DESZXQJWWDCNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O2S/c1-23-10-20-22-17(23)26-13-5-2-11(3-6-13)21-16(24)9-25-12-4-7-15(19)14(18)8-12/h2-8,10H,9H2,1H3,(H,21,24).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide?
2-(3-chloro-4-fluorophenoxy)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide has a molecular weight of 392.84 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide is sourced from PubChem (CID 134003332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).