2-chloro-N-[1-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-1-oxopropan-2-yl]benzamide

C22H26ClN3O2 — CID 51233297

IUPAC2-chloro-N-[1-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1Cl)C(=O)N(C)Cc1ccccc1N1CCCC1
InChIInChI=1S/C22H26ClN3O2/c1-16(24-21(27)18-10-4-5-11-19(18)23)22(28)25(2)15-17-9-3-6-12-20(17)26-13-7-8-14-26/h3-6,9-12,16H,7-8,13-15H2,1-2H3,(H,24,27)
InChIKeyRHMWWDZGIWFUDP-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.72
Rot. Bonds6

About 2-chloro-N-[1-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-1-oxopropan-2-yl]benzamide

2-chloro-N-[1-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-1-oxopropan-2-yl]benzamide (PubChem CID 51233297) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 2-chloro-N-[1-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-1-oxopropan-2-yl]benzamide
PubChem CID51233297
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name2-chloro-N-[1-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1Cl)C(=O)N(C)Cc1ccccc1N1CCCC1
InChIInChI=1S/C22H26ClN3O2/c1-16(24-21(27)18-10-4-5-11-19(18)23)22(28)25(2)15-17-9-3-6-12-20(17)26-13-7-8-14-26/h3-6,9-12,16H,7-8,13-15H2,1-2H3,(H,24,27)
InChIKeyRHMWWDZGIWFUDP-UHFFFAOYSA-N
XLogP3.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-1-oxopropan-2-yl]benzamide (CID 51233297) is 2-chloro-N-[1-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1Cl)C(=O)N(C)Cc1ccccc1N1CCCC1.
What is the InChIKey of 2-chloro-N-[1-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is RHMWWDZGIWFUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-16(24-21(27)18-10-4-5-11-19(18)23)22(28)25(2)15-17-9-3-6-12-20(17)26-13-7-8-14-26/h3-6,9-12,16H,7-8,13-15H2,1-2H3,(H,24,27).
What are the key properties of 2-chloro-N-[1-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[1-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 399.92 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 51233297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).