2-chloro-N-[(2S)-1-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide

C18H20ClN3O2 — CID 95625466

IUPAC2-chloro-N-[(2S)-1-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)N(C)[C@H](C)c1cccnc1
InChIInChI=1S/C18H20ClN3O2/c1-12(21-17(23)15-8-4-5-9-16(15)19)18(24)22(3)13(2)14-7-6-10-20-11-14/h4-13H,1-3H3,(H,21,23)/t12-,13+/m0/s1
InChIKeyMITXPEZSZYAXIO-QWHCGFSZSA-N
MW345.83 g/mol
LogP3.07
Rot. Bonds5

About 2-chloro-N-[(2S)-1-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide

2-chloro-N-[(2S)-1-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide (PubChem CID 95625466) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide
PubChem CID95625466
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-chloro-N-[(2S)-1-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)N(C)[C@H](C)c1cccnc1
InChIInChI=1S/C18H20ClN3O2/c1-12(21-17(23)15-8-4-5-9-16(15)19)18(24)22(3)13(2)14-7-6-10-20-11-14/h4-13H,1-3H3,(H,21,23)/t12-,13+/m0/s1
InChIKeyMITXPEZSZYAXIO-QWHCGFSZSA-N
XLogP3.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[(2S)-1-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide with MolForge

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Related Compounds

2-chloro-N-[(2R)-1-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide
CID 95625463
2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43419974
2-chloro-N-[3-oxo-3-[[(1S)-1-pyridin-3-ylethyl]amino]propyl]benzamide
CID 39959067
3-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 97089202
2-chloro-N-[3-methyl-1-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-1-oxobutan-2-yl]benzamide
CID 55551733
5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 77080919
2-chloro-N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]benzamide
CID 9164025
2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
CID 18168780
(Z)-3-(2-methoxyphenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]but-2-enamide
CID 99894138
5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide
CID 86858321
4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43396829
2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 114917283

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-1-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide (CID 95625466) is 2-chloro-N-[(2S)-1-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide is C[C@H](NC(=O)c1ccccc1Cl)C(=O)N(C)[C@H](C)c1cccnc1.
What is the InChIKey of 2-chloro-N-[(2S)-1-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is MITXPEZSZYAXIO-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12(21-17(23)15-8-4-5-9-16(15)19)18(24)22(3)13(2)14-7-6-10-20-11-14/h4-13H,1-3H3,(H,21,23)/t12-,13+/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[(2S)-1-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 345.83 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 95625466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).