N-[3-(4-chlorophenyl)pentan-3-yl]-4-(1,2,4-triazol-1-yl)benzamide

C20H21ClN4O — CID 56521068

IUPACN-[3-(4-chlorophenyl)pentan-3-yl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESCCC(CC)(NC(=O)c1ccc(-n2cncn2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4O/c1-3-20(4-2,16-7-9-17(21)10-8-16)24-19(26)15-5-11-18(12-6-15)25-14-22-13-23-25/h5-14H,3-4H2,1-2H3,(H,24,26)
InChIKeyDFGQXVLWUZQKSE-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.37
Rot. Bonds6

About N-[3-(4-chlorophenyl)pentan-3-yl]-4-(1,2,4-triazol-1-yl)benzamide

N-[3-(4-chlorophenyl)pentan-3-yl]-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 56521068) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)pentan-3-yl]-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)pentan-3-yl]-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID56521068
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC NameN-[3-(4-chlorophenyl)pentan-3-yl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESCCC(CC)(NC(=O)c1ccc(-n2cncn2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4O/c1-3-20(4-2,16-7-9-17(21)10-8-16)24-19(26)15-5-11-18(12-6-15)25-14-22-13-23-25/h5-14H,3-4H2,1-2H3,(H,24,26)
InChIKeyDFGQXVLWUZQKSE-UHFFFAOYSA-N
XLogP4.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 16602955
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 110004658
4-chloro-N-[1-oxo-3-phenyl-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]benzamide
CID 55909729
2,2-dimethyl-1-[4-(1,2,4-triazol-1-yl)phenyl]propan-1-one
CID 58252503
3-(4-chlorophenyl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one
CID 74376737
N-(3-ethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18138197
N-[2-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 86666614
(2,5-dichlorophenyl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone;1-ethoxy-2,2-dimethylpropane
CID 90785876
1-(4-chlorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 55892350
N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 18167141
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18128698
N,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide
CID 86835460

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)pentan-3-yl]-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[3-(4-chlorophenyl)pentan-3-yl]-4-(1,2,4-triazol-1-yl)benzamide (CID 56521068) is N-[3-(4-chlorophenyl)pentan-3-yl]-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)pentan-3-yl]-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[3-(4-chlorophenyl)pentan-3-yl]-4-(1,2,4-triazol-1-yl)benzamide is CCC(CC)(NC(=O)c1ccc(-n2cncn2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)pentan-3-yl]-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is DFGQXVLWUZQKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-3-20(4-2,16-7-9-17(21)10-8-16)24-19(26)15-5-11-18(12-6-15)25-14-22-13-23-25/h5-14H,3-4H2,1-2H3,(H,24,26).
What are the key properties of N-[3-(4-chlorophenyl)pentan-3-yl]-4-(1,2,4-triazol-1-yl)benzamide?
N-[3-(4-chlorophenyl)pentan-3-yl]-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 368.87 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)pentan-3-yl]-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 56521068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).