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

C12H12F2N4O2 — CID 1482364

IUPACN-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C12H12F2N4O2/c13-12(14)20-10-3-1-2-9(4-10)5-16-11(19)6-18-8-15-7-17-18/h1-4,7-8,12H,5-6H2,(H,16,19)
InChIKeyYWQNSORIOMAUKF-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.20
Rot. Bonds6

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

N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 1482364) has the molecular formula C12H12F2N4O2 and a molecular weight of 282.25 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID1482364
Molecular FormulaC12H12F2N4O2
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC NameN-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C12H12F2N4O2/c13-12(14)20-10-3-1-2-9(4-10)5-16-11(19)6-18-8-15-7-17-18/h1-4,7-8,12H,5-6H2,(H,16,19)
InChIKeyYWQNSORIOMAUKF-UHFFFAOYSA-N
XLogP1.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethoxybenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 1485773
N-[(2-methoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 9268067
N-(3-methoxybenzyl)-3-{1-[3-(1H-1,2,4-triazol-1-yl)propanoyl]-3-piperidinyl}propanamide
CID 16190565
1-[1-(3-Fluoro-4-methoxyphenyl)ethyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea
CID 53498630
1-[1-(5-Fluoro-2-methoxyphenyl)ethyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea
CID 53502400
1-[[3-(Difluoromethoxy)phenyl]methyl]-1-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53523534
1-[[3-(Difluoromethoxy)phenyl]methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylurea
CID 53532152
N-[(3-methoxyphenyl)methyl]-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53603006
N-{[1-(3-methoxybenzyl)-1H-1,2,4-triazol-5-yl]methyl}acetamide
CID 72869382
N,N'-dimethyl-N'-[1-[[3-(trifluoromethoxy)phenyl]methyl]tetrazol-5-yl]ethane-1,2-diamine;hydrochloride
CID 137631555
N-(1-isopropyl-1H-1,2,4-triazol-5-yl)-N'-[3-(trifluoromethoxy)benzyl]urea
CID 28097315
2-(3-cyano-1,2,4-triazol-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 29867662

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 1482364) is N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NCc1cccc(OC(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is YWQNSORIOMAUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2/c13-12(14)20-10-3-1-2-9(4-10)5-16-11(19)6-18-8-15-7-17-18/h1-4,7-8,12H,5-6H2,(H,16,19).
What are the key properties of N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 282.25 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 1482364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).