2-[4-(aminomethyl)triazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide

C11H11ClFN5O — CID 62054655

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
SMILESNCc1cn(CC(=O)Nc2ccc(F)cc2Cl)nn1
InChIInChI=1S/C11H11ClFN5O/c12-9-3-7(13)1-2-10(9)15-11(19)6-18-5-8(4-14)16-17-18/h1-3,5H,4,6,14H2,(H,15,19)
InChIKeyQQDSCGFJZLEEGW-UHFFFAOYSA-N
MW283.69 g/mol
LogP1.17
Rot. Bonds4

About 2-[4-(aminomethyl)triazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide (PubChem CID 62054655) has the molecular formula C11H11ClFN5O and a molecular weight of 283.69 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
PubChem CID62054655
Molecular FormulaC11H11ClFN5O
Molecular Weight283.69 g/mol
Exact Mass283.06
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
SMILESNCc1cn(CC(=O)Nc2ccc(F)cc2Cl)nn1
InChIInChI=1S/C11H11ClFN5O/c12-9-3-7(13)1-2-10(9)15-11(19)6-18-5-8(4-14)16-17-18/h1-3,5H,4,6,14H2,(H,15,19)
InChIKeyQQDSCGFJZLEEGW-UHFFFAOYSA-N
XLogP1.17
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 62054464
2-[4-(aminomethyl)triazol-1-yl]-N-(2,5-dichloro-4-methylphenyl)acetamide
CID 104727118
2-[4-(aminomethyl)triazol-1-yl]-N-(5-fluoro-2-pyridinyl)acetamide
CID 113314224
2-[4-(3-aminopropyl)triazol-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide
CID 106220930
2-[4-(aminomethyl)triazol-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 62053803
2-[4-(aminomethyl)triazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107641680
N-(4-bromo-2-chlorophenyl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66193871
2-[4-(aminomethyl)triazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 62053635
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 116642027
N-(5-fluoro-2-methylphenyl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66214830
2-[4-(aminomethyl)triazol-1-yl]-N-(2-bromo-4-cyanophenyl)acetamide
CID 115459165
3-[4-(aminomethyl)triazol-1-yl]-N-(2-chlorophenyl)propanamide
CID 55029571

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide (CID 62054655) is 2-[4-(aminomethyl)triazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide is NCc1cn(CC(=O)Nc2ccc(F)cc2Cl)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide?
The InChIKey is QQDSCGFJZLEEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN5O/c12-9-3-7(13)1-2-10(9)15-11(19)6-18-5-8(4-14)16-17-18/h1-3,5H,4,6,14H2,(H,15,19).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide has a molecular weight of 283.69 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 62054655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).