4-chloro-N-(4-methyl-2-pyridinyl)-3-(2-phenylbutanoylamino)benzamide

C23H22ClN3O2 — CID 11839626

IUPAC4-chloro-N-(4-methyl-2-pyridinyl)-3-(2-phenylbutanoylamino)benzamide
SMILESCCC(C(=O)Nc1cc(C(=O)Nc2cc(C)ccn2)ccc1Cl)c1ccccc1
InChIInChI=1S/C23H22ClN3O2/c1-3-18(16-7-5-4-6-8-16)23(29)26-20-14-17(9-10-19(20)24)22(28)27-21-13-15(2)11-12-25-21/h4-14,18H,3H2,1-2H3,(H,26,29)(H,25,27,28)
InChIKeySZUCFANUUBSCPX-UHFFFAOYSA-N
MW407.90 g/mol
LogP5.43
Rot. Bonds6

About 4-chloro-N-(4-methyl-2-pyridinyl)-3-(2-phenylbutanoylamino)benzamide

4-chloro-N-(4-methyl-2-pyridinyl)-3-(2-phenylbutanoylamino)benzamide (PubChem CID 11839626) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 4-chloro-N-(4-methyl-2-pyridinyl)-3-(2-phenylbutanoylamino)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-methyl-2-pyridinyl)-3-(2-phenylbutanoylamino)benzamide
PubChem CID11839626
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name4-chloro-N-(4-methyl-2-pyridinyl)-3-(2-phenylbutanoylamino)benzamide
SMILESCCC(C(=O)Nc1cc(C(=O)Nc2cc(C)ccn2)ccc1Cl)c1ccccc1
InChIInChI=1S/C23H22ClN3O2/c1-3-18(16-7-5-4-6-8-16)23(29)26-20-14-17(9-10-19(20)24)22(28)27-21-13-15(2)11-12-25-21/h4-14,18H,3H2,1-2H3,(H,26,29)(H,25,27,28)
InChIKeySZUCFANUUBSCPX-UHFFFAOYSA-N
XLogP5.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methyl-2-pyridinyl)-3-(2-phenylbutanoylamino)benzamide?
The IUPAC name of 4-chloro-N-(4-methyl-2-pyridinyl)-3-(2-phenylbutanoylamino)benzamide (CID 11839626) is 4-chloro-N-(4-methyl-2-pyridinyl)-3-(2-phenylbutanoylamino)benzamide.
What is the SMILES notation for 4-chloro-N-(4-methyl-2-pyridinyl)-3-(2-phenylbutanoylamino)benzamide?
The canonical SMILES for 4-chloro-N-(4-methyl-2-pyridinyl)-3-(2-phenylbutanoylamino)benzamide is CCC(C(=O)Nc1cc(C(=O)Nc2cc(C)ccn2)ccc1Cl)c1ccccc1.
What is the InChIKey of 4-chloro-N-(4-methyl-2-pyridinyl)-3-(2-phenylbutanoylamino)benzamide?
The InChIKey is SZUCFANUUBSCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-3-18(16-7-5-4-6-8-16)23(29)26-20-14-17(9-10-19(20)24)22(28)27-21-13-15(2)11-12-25-21/h4-14,18H,3H2,1-2H3,(H,26,29)(H,25,27,28).
What are the key properties of 4-chloro-N-(4-methyl-2-pyridinyl)-3-(2-phenylbutanoylamino)benzamide?
4-chloro-N-(4-methyl-2-pyridinyl)-3-(2-phenylbutanoylamino)benzamide has a molecular weight of 407.90 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methyl-2-pyridinyl)-3-(2-phenylbutanoylamino)benzamide is sourced from PubChem (CID 11839626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).