2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C20H21ClN2O4 — CID 137406946

IUPAC2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(COc1ccccc1C(=O)NC[C@@H]1CCCO1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O4/c21-14-7-9-15(10-8-14)23-19(24)13-27-18-6-2-1-5-17(18)20(25)22-12-16-4-3-11-26-16/h1-2,5-10,16H,3-4,11-13H2,(H,22,25)(H,23,24)/t16-/m0/s1
InChIKeyUWWRIHRRFRLQQR-INIZCTEOSA-N
MW388.85 g/mol
LogP3.27
Rot. Bonds7

About 2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 137406946) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is 2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID137406946
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(COc1ccccc1C(=O)NC[C@@H]1CCCO1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O4/c21-14-7-9-15(10-8-14)23-19(24)13-27-18-6-2-1-5-17(18)20(25)22-12-16-4-3-11-26-16/h1-2,5-10,16H,3-4,11-13H2,(H,22,25)(H,23,24)/t16-/m0/s1
InChIKeyUWWRIHRRFRLQQR-INIZCTEOSA-N
XLogP3.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(oxolan-2-ylmethyl)benzamide
CID 51148171
2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide
CID 16547670
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 46420350
2-[(2-naphthalen-1-yloxyacetyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17361740
4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42427432
2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981199
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide
CID 17361745
2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 42427479
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 7440355
2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105878
2-(4-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295205

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 137406946) is 2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is O=C(COc1ccccc1C(=O)NC[C@@H]1CCCO1)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is UWWRIHRRFRLQQR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c21-14-7-9-15(10-8-14)23-19(24)13-27-18-6-2-1-5-17(18)20(25)22-12-16-4-3-11-26-16/h1-2,5-10,16H,3-4,11-13H2,(H,22,25)(H,23,24)/t16-/m0/s1.
What are the key properties of 2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 388.85 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 137406946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).