N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide

C18H17BrN4O2 — CID 24514948

IUPACN-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H17BrN4O2/c1-22(10-11-25-17-8-4-15(19)5-9-17)18(24)14-2-6-16(7-3-14)23-13-20-12-21-23/h2-9,12-13H,10-11H2,1H3
InChIKeyXQRIWKWIODOQCC-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.18
Rot. Bonds6

About N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide

N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 24514948) has the molecular formula C18H17BrN4O2 and a molecular weight of 401.26 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID24514948
Molecular FormulaC18H17BrN4O2
Molecular Weight401.26 g/mol
Exact Mass400.05
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H17BrN4O2/c1-22(10-11-25-17-8-4-15(19)5-9-17)18(24)14-2-6-16(7-3-14)23-13-20-12-21-23/h2-9,12-13H,10-11H2,1H3
InChIKeyXQRIWKWIODOQCC-UHFFFAOYSA-N
XLogP3.18
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 17410585
4-acetamido-N-[2-(4-bromophenoxy)ethyl]-N-methylbenzamide
CID 27811339
N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide
CID 24514957
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 46612021
2-(4-bromophenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 55732144
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 18126088
1-(4-butoxyphenyl)-1,2,4-triazole
CID 11458616
N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 112793960
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 31206491
4-bromo-N-[2-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]-2-oxoethyl]benzamide
CID 112795514
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide
CID 78794109
N-methyl-2-(4-propoxyphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 51201711

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide (CID 24514948) is N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide is CN(CCOc1ccc(Br)cc1)C(=O)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is XQRIWKWIODOQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O2/c1-22(10-11-25-17-8-4-15(19)5-9-17)18(24)14-2-6-16(7-3-14)23-13-20-12-21-23/h2-9,12-13H,10-11H2,1H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide?
N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 401.26 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 24514948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).