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

C18H20ClN3O2 — CID 95625463

IUPAC2-chloro-N-[(2R)-1-[methyl-[(1S)-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+/m1/s1
InChIKeyMITXPEZSZYAXIO-OLZOCXBDSA-N
MW345.83 g/mol
LogP3.07
Rot. Bonds5

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

2-chloro-N-[(2R)-1-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide (PubChem CID 95625463) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-1-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-1-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide
PubChem CID95625463
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-chloro-N-[(2R)-1-[methyl-[(1S)-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+/m1/s1
InChIKeyMITXPEZSZYAXIO-OLZOCXBDSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-1-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2R)-1-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide (CID 95625463) is 2-chloro-N-[(2R)-1-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2R)-1-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2R)-1-[methyl-[(1S)-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-[(2R)-1-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is MITXPEZSZYAXIO-OLZOCXBDSA-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+/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-1-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[(2R)-1-[methyl-[(1S)-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-[(2R)-1-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 95625463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).