N-cycloheptyl-4-(3,5-dimethyl-1,2,4-triazol-4-yl)benzamide

C18H24N4O — CID 22583363

IUPACN-cycloheptyl-4-(3,5-dimethyl-1,2,4-triazol-4-yl)benzamide
SMILESCc1nnc(C)n1-c1ccc(C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C18H24N4O/c1-13-20-21-14(2)22(13)17-11-9-15(10-12-17)18(23)19-16-7-5-3-4-6-8-16/h9-12,16H,3-8H2,1-2H3,(H,19,23)
InChIKeyIQZOIDQXFPBTDD-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.34
Rot. Bonds3

About N-cycloheptyl-4-(3,5-dimethyl-1,2,4-triazol-4-yl)benzamide

N-cycloheptyl-4-(3,5-dimethyl-1,2,4-triazol-4-yl)benzamide (PubChem CID 22583363) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-cycloheptyl-4-(3,5-dimethyl-1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(3,5-dimethyl-1,2,4-triazol-4-yl)benzamide
PubChem CID22583363
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-cycloheptyl-4-(3,5-dimethyl-1,2,4-triazol-4-yl)benzamide
SMILESCc1nnc(C)n1-c1ccc(C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C18H24N4O/c1-13-20-21-14(2)22(13)17-11-9-15(10-12-17)18(23)19-16-7-5-3-4-6-8-16/h9-12,16H,3-8H2,1-2H3,(H,19,23)
InChIKeyIQZOIDQXFPBTDD-UHFFFAOYSA-N
XLogP3.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-4-methylbenzamide
CID 3995245
N-cyclopropyl-4-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide
CID 42810691
N-cyclohexyl-4-(1-methyltetrazol-5-yl)benzamide
CID 23541046
N-cyclobutyl-4-methylbenzamide
CID 23530676
[2-(cycloheptylamino)-2-oxoethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate
CID 23859958
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
N-cyclohexyl-4-hydroxy-3-methylbenzamide
CID 113355938
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872
N-cyclohexylpyridine-4-carboxamide
CID 3436730
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
N-cyclohexyl-4-(4-methyl-2-pyridinyl)benzamide
CID 59672894

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(3,5-dimethyl-1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-cycloheptyl-4-(3,5-dimethyl-1,2,4-triazol-4-yl)benzamide (CID 22583363) is N-cycloheptyl-4-(3,5-dimethyl-1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-cycloheptyl-4-(3,5-dimethyl-1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-cycloheptyl-4-(3,5-dimethyl-1,2,4-triazol-4-yl)benzamide is Cc1nnc(C)n1-c1ccc(C(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-4-(3,5-dimethyl-1,2,4-triazol-4-yl)benzamide?
The InChIKey is IQZOIDQXFPBTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-20-21-14(2)22(13)17-11-9-15(10-12-17)18(23)19-16-7-5-3-4-6-8-16/h9-12,16H,3-8H2,1-2H3,(H,19,23).
What are the key properties of N-cycloheptyl-4-(3,5-dimethyl-1,2,4-triazol-4-yl)benzamide?
N-cycloheptyl-4-(3,5-dimethyl-1,2,4-triazol-4-yl)benzamide has a molecular weight of 312.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(3,5-dimethyl-1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 22583363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).