4-chloro-3-methyl-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzamide

C19H21ClN2O3 — CID 164634180

IUPAC4-chloro-3-methyl-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzamide
SMILESCc1cc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccn2)ccc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-13-10-14(5-6-16(13)20)19(23)22-17-7-9-24-12-18(17)25-11-15-4-2-3-8-21-15/h2-6,8,10,17-18H,7,9,11-12H2,1H3,(H,22,23)/t17-,18-/m0/s1
InChIKeyVLBJLLNIMVKMCP-ROUUACIJSA-N
MW360.84 g/mol
LogP3.15
Rot. Bonds5

About 4-chloro-3-methyl-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzamide

4-chloro-3-methyl-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzamide (PubChem CID 164634180) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzamide
PubChem CID164634180
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name4-chloro-3-methyl-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzamide
SMILESCc1cc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccn2)ccc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-13-10-14(5-6-16(13)20)19(23)22-17-7-9-24-12-18(17)25-11-15-4-2-3-8-21-15/h2-6,8,10,17-18H,7,9,11-12H2,1H3,(H,22,23)/t17-,18-/m0/s1
InChIKeyVLBJLLNIMVKMCP-ROUUACIJSA-N
XLogP3.15
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzamide?
The IUPAC name of 4-chloro-3-methyl-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzamide (CID 164634180) is 4-chloro-3-methyl-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzamide.
What is the SMILES notation for 4-chloro-3-methyl-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzamide?
The canonical SMILES for 4-chloro-3-methyl-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzamide is Cc1cc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccn2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methyl-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzamide?
The InChIKey is VLBJLLNIMVKMCP-ROUUACIJSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-13-10-14(5-6-16(13)20)19(23)22-17-7-9-24-12-18(17)25-11-15-4-2-3-8-21-15/h2-6,8,10,17-18H,7,9,11-12H2,1H3,(H,22,23)/t17-,18-/m0/s1.
What are the key properties of 4-chloro-3-methyl-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzamide?
4-chloro-3-methyl-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzamide has a molecular weight of 360.84 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzamide is sourced from PubChem (CID 164634180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).