N-[[(2R,5R)-5-(benzamidomethyl)-1,4-dioxan-2-yl]methyl]-2-chlorobenzamide

C20H21ClN2O4 — CID 134416891

IUPACN-[[(2R,5R)-5-(benzamidomethyl)-1,4-dioxan-2-yl]methyl]-2-chlorobenzamide
SMILESO=C(NC[C@@H]1CO[C@H](CNC(=O)c2ccccc2Cl)CO1)c1ccccc1
InChIInChI=1S/C20H21ClN2O4/c21-18-9-5-4-8-17(18)20(25)23-11-16-13-26-15(12-27-16)10-22-19(24)14-6-2-1-3-7-14/h1-9,15-16H,10-13H2,(H,22,24)(H,23,25)/t15-,16-/m1/s1
InChIKeyXQFCSFCNEMQPAG-HZPDHXFCSA-N
MW388.85 g/mol
LogP2.28
Rot. Bonds6

About N-[[(2R,5R)-5-(benzamidomethyl)-1,4-dioxan-2-yl]methyl]-2-chlorobenzamide

N-[[(2R,5R)-5-(benzamidomethyl)-1,4-dioxan-2-yl]methyl]-2-chlorobenzamide (PubChem CID 134416891) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is N-[[(2R,5R)-5-(benzamidomethyl)-1,4-dioxan-2-yl]methyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[[(2R,5R)-5-(benzamidomethyl)-1,4-dioxan-2-yl]methyl]-2-chlorobenzamide
PubChem CID134416891
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC NameN-[[(2R,5R)-5-(benzamidomethyl)-1,4-dioxan-2-yl]methyl]-2-chlorobenzamide
SMILESO=C(NC[C@@H]1CO[C@H](CNC(=O)c2ccccc2Cl)CO1)c1ccccc1
InChIInChI=1S/C20H21ClN2O4/c21-18-9-5-4-8-17(18)20(25)23-11-16-13-26-15(12-27-16)10-22-19(24)14-6-2-1-3-7-14/h1-9,15-16H,10-13H2,(H,22,24)(H,23,25)/t15-,16-/m1/s1
InChIKeyXQFCSFCNEMQPAG-HZPDHXFCSA-N
XLogP2.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Moclobemide
CID 4235
4-Chloro-N-(3-(4-morpholinyl)propyl)benzamide
CID 65659
4-(2-Chlorobenzoyl)-morpholine
CID 225451
2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide
CID 567688
2-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 799090
Benzamide, N-(2-(2-chlorophenyl)-1-(4-morpholinylcarbonyl)ethenyl)-, (E)-
CID 1711976
2,5-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 2162726
2,4-dichloro-N-[3-(morpholin-4-yl)propyl]benzamide
CID 2165284
3-chloro-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 2269216
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 16240695
N-[3-(benzylmethylamino)propyl]-2-chlorobenzamide
CID 41306333
N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chlorobenzamide
CID 118652045

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,5R)-5-(benzamidomethyl)-1,4-dioxan-2-yl]methyl]-2-chlorobenzamide?
The IUPAC name of N-[[(2R,5R)-5-(benzamidomethyl)-1,4-dioxan-2-yl]methyl]-2-chlorobenzamide (CID 134416891) is N-[[(2R,5R)-5-(benzamidomethyl)-1,4-dioxan-2-yl]methyl]-2-chlorobenzamide.
What is the SMILES notation for N-[[(2R,5R)-5-(benzamidomethyl)-1,4-dioxan-2-yl]methyl]-2-chlorobenzamide?
The canonical SMILES for N-[[(2R,5R)-5-(benzamidomethyl)-1,4-dioxan-2-yl]methyl]-2-chlorobenzamide is O=C(NC[C@@H]1CO[C@H](CNC(=O)c2ccccc2Cl)CO1)c1ccccc1.
What is the InChIKey of N-[[(2R,5R)-5-(benzamidomethyl)-1,4-dioxan-2-yl]methyl]-2-chlorobenzamide?
The InChIKey is XQFCSFCNEMQPAG-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c21-18-9-5-4-8-17(18)20(25)23-11-16-13-26-15(12-27-16)10-22-19(24)14-6-2-1-3-7-14/h1-9,15-16H,10-13H2,(H,22,24)(H,23,25)/t15-,16-/m1/s1.
What are the key properties of N-[[(2R,5R)-5-(benzamidomethyl)-1,4-dioxan-2-yl]methyl]-2-chlorobenzamide?
N-[[(2R,5R)-5-(benzamidomethyl)-1,4-dioxan-2-yl]methyl]-2-chlorobenzamide has a molecular weight of 388.85 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,5R)-5-(benzamidomethyl)-1,4-dioxan-2-yl]methyl]-2-chlorobenzamide is sourced from PubChem (CID 134416891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).