3-chloro-N-(1-methyltriazol-4-yl)benzamide

C10H9ClN4O — CID 112535369

IUPAC3-chloro-N-(1-methyltriazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2cccc(Cl)c2)nn1
InChIInChI=1S/C10H9ClN4O/c1-15-6-9(13-14-15)12-10(16)7-3-2-4-8(11)5-7/h2-6H,1H3,(H,12,16)
InChIKeyYTOPYLZZPRPEDN-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.72
Rot. Bonds2

About 3-chloro-N-(1-methyltriazol-4-yl)benzamide

3-chloro-N-(1-methyltriazol-4-yl)benzamide (PubChem CID 112535369) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 3-chloro-N-(1-methyltriazol-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(1-methyltriazol-4-yl)benzamide
PubChem CID112535369
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name3-chloro-N-(1-methyltriazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2cccc(Cl)c2)nn1
InChIInChI=1S/C10H9ClN4O/c1-15-6-9(13-14-15)12-10(16)7-3-2-4-8(11)5-7/h2-6H,1H3,(H,12,16)
InChIKeyYTOPYLZZPRPEDN-UHFFFAOYSA-N
XLogP1.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-methyltriazol-4-yl)benzamide
CID 169420008
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-chloro-N-(2-chloropyrimidin-4-yl)benzamide
CID 116798431
3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 30414116
3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide
CID 113045730
2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide
CID 112535389
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 931371
2-methoxy-N-(1-methyltriazol-4-yl)benzamide
CID 112535372

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-methyltriazol-4-yl)benzamide?
The IUPAC name of 3-chloro-N-(1-methyltriazol-4-yl)benzamide (CID 112535369) is 3-chloro-N-(1-methyltriazol-4-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(1-methyltriazol-4-yl)benzamide?
The canonical SMILES for 3-chloro-N-(1-methyltriazol-4-yl)benzamide is Cn1cc(NC(=O)c2cccc(Cl)c2)nn1.
What is the InChIKey of 3-chloro-N-(1-methyltriazol-4-yl)benzamide?
The InChIKey is YTOPYLZZPRPEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-15-6-9(13-14-15)12-10(16)7-3-2-4-8(11)5-7/h2-6H,1H3,(H,12,16).
What are the key properties of 3-chloro-N-(1-methyltriazol-4-yl)benzamide?
3-chloro-N-(1-methyltriazol-4-yl)benzamide has a molecular weight of 236.66 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-methyltriazol-4-yl)benzamide is sourced from PubChem (CID 112535369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).