2-chloro-N-(2-methylpropyl)-5-[3-(1-methylpyrazol-3-yl)propanoylamino]benzamide

C18H23ClN4O2 — CID 126801909

IUPAC2-chloro-N-(2-methylpropyl)-5-[3-(1-methylpyrazol-3-yl)propanoylamino]benzamide
SMILESCC(C)CNC(=O)c1cc(NC(=O)CCc2ccn(C)n2)ccc1Cl
InChIInChI=1S/C18H23ClN4O2/c1-12(2)11-20-18(25)15-10-14(4-6-16(15)19)21-17(24)7-5-13-8-9-23(3)22-13/h4,6,8-10,12H,5,7,11H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyUNSRRIYNNNMVMK-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.03
Rot. Bonds7

About 2-chloro-N-(2-methylpropyl)-5-[3-(1-methylpyrazol-3-yl)propanoylamino]benzamide

2-chloro-N-(2-methylpropyl)-5-[3-(1-methylpyrazol-3-yl)propanoylamino]benzamide (PubChem CID 126801909) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-chloro-N-(2-methylpropyl)-5-[3-(1-methylpyrazol-3-yl)propanoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylpropyl)-5-[3-(1-methylpyrazol-3-yl)propanoylamino]benzamide
PubChem CID126801909
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name2-chloro-N-(2-methylpropyl)-5-[3-(1-methylpyrazol-3-yl)propanoylamino]benzamide
SMILESCC(C)CNC(=O)c1cc(NC(=O)CCc2ccn(C)n2)ccc1Cl
InChIInChI=1S/C18H23ClN4O2/c1-12(2)11-20-18(25)15-10-14(4-6-16(15)19)21-17(24)7-5-13-8-9-23(3)22-13/h4,6,8-10,12H,5,7,11H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyUNSRRIYNNNMVMK-UHFFFAOYSA-N
XLogP3.03
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylpropyl)-5-[3-(1-methylpyrazol-3-yl)propanoylamino]benzamide?
The IUPAC name of 2-chloro-N-(2-methylpropyl)-5-[3-(1-methylpyrazol-3-yl)propanoylamino]benzamide (CID 126801909) is 2-chloro-N-(2-methylpropyl)-5-[3-(1-methylpyrazol-3-yl)propanoylamino]benzamide.
What is the SMILES notation for 2-chloro-N-(2-methylpropyl)-5-[3-(1-methylpyrazol-3-yl)propanoylamino]benzamide?
The canonical SMILES for 2-chloro-N-(2-methylpropyl)-5-[3-(1-methylpyrazol-3-yl)propanoylamino]benzamide is CC(C)CNC(=O)c1cc(NC(=O)CCc2ccn(C)n2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-methylpropyl)-5-[3-(1-methylpyrazol-3-yl)propanoylamino]benzamide?
The InChIKey is UNSRRIYNNNMVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-12(2)11-20-18(25)15-10-14(4-6-16(15)19)21-17(24)7-5-13-8-9-23(3)22-13/h4,6,8-10,12H,5,7,11H2,1-3H3,(H,20,25)(H,21,24).
What are the key properties of 2-chloro-N-(2-methylpropyl)-5-[3-(1-methylpyrazol-3-yl)propanoylamino]benzamide?
2-chloro-N-(2-methylpropyl)-5-[3-(1-methylpyrazol-3-yl)propanoylamino]benzamide has a molecular weight of 362.86 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylpropyl)-5-[3-(1-methylpyrazol-3-yl)propanoylamino]benzamide is sourced from PubChem (CID 126801909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).