2-chloro-N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide

C22H20ClN3O2 — CID 24686889

IUPAC2-chloro-N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCc1ccnc(NC(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)c1
InChIInChI=1S/C22H20ClN3O2/c1-15-11-12-24-20(13-15)26-21(27)14-19(16-7-3-2-4-8-16)25-22(28)17-9-5-6-10-18(17)23/h2-13,19H,14H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyNQIVWOMYIFDCGQ-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.54
Rot. Bonds6

About 2-chloro-N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide

2-chloro-N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 24686889) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 2-chloro-N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID24686889
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name2-chloro-N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCc1ccnc(NC(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)c1
InChIInChI=1S/C22H20ClN3O2/c1-15-11-12-24-20(13-15)26-21(27)14-19(16-7-3-2-4-8-16)25-22(28)17-9-5-6-10-18(17)23/h2-13,19H,14H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyNQIVWOMYIFDCGQ-UHFFFAOYSA-N
XLogP4.54
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide (CID 24686889) is 2-chloro-N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide is Cc1ccnc(NC(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)c1.
What is the InChIKey of 2-chloro-N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is NQIVWOMYIFDCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-15-11-12-24-20(13-15)26-21(27)14-19(16-7-3-2-4-8-16)25-22(28)17-9-5-6-10-18(17)23/h2-13,19H,14H2,1H3,(H,25,28)(H,24,26,27).
What are the key properties of 2-chloro-N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide?
2-chloro-N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 393.87 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 24686889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).