N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide

C17H13ClF2N4O3 — CID 24980286

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)ccc1OC(F)F
InChIInChI=1S/C17H13ClF2N4O3/c1-26-15-6-10(2-5-14(15)27-17(19)20)16(25)23-12-7-11(18)3-4-13(12)24-9-21-8-22-24/h2-9,17H,1H3,(H,23,25)
InChIKeyQEFZUPIBENUKGS-UHFFFAOYSA-N
MW394.77 g/mol
LogP3.78
Rot. Bonds6

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 24980286) has the molecular formula C17H13ClF2N4O3 and a molecular weight of 394.77 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
PubChem CID24980286
Molecular FormulaC17H13ClF2N4O3
Molecular Weight394.77 g/mol
Exact Mass394.06
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)ccc1OC(F)F
InChIInChI=1S/C17H13ClF2N4O3/c1-26-15-6-10(2-5-14(15)27-17(19)20)16(25)23-12-7-11(18)3-4-13(12)24-9-21-8-22-24/h2-9,17H,1H3,(H,23,25)
InChIKeyQEFZUPIBENUKGS-UHFFFAOYSA-N
XLogP3.78
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.77
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
CID 131801162
N-(2-(1H-1,2,4-Triazol-1-yl)-5-(trifluoromethoxy)phenyl)-4-(cyclopropylmethoxy)-3-methoxybenzamide
CID 137321168
2-(3-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 17417004
4-(4-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 16263407
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 24686711
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 24980594
4-ethoxy-3-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
CID 145953031
3-methoxy-4-propan-2-yloxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
CID 145955650
3-methoxy-4-propoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
CID 145958691
N-(2-(1H-1,2,4-Triazol-1-yl)-5-(trifluoromethoxy)phenyl)-4-cyclopropoxy-3-methoxybenzamide
CID 145958897
4-cyclobutyloxy-3-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
CID 168283516
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide
CID 18084463

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide (CID 24980286) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide is COc1cc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)ccc1OC(F)F.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is QEFZUPIBENUKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N4O3/c1-26-15-6-10(2-5-14(15)27-17(19)20)16(25)23-12-7-11(18)3-4-13(12)24-9-21-8-22-24/h2-9,17H,1H3,(H,23,25).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 394.77 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 N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 24980286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).