2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C20H20Cl2N2O4 — CID 46420350

IUPAC2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(COc1cc(Cl)ccc1Cl)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C20H20Cl2N2O4/c21-13-7-8-16(22)18(10-13)28-12-19(25)24-17-6-2-1-5-15(17)20(26)23-11-14-4-3-9-27-14/h1-2,5-8,10,14H,3-4,9,11-12H2,(H,23,26)(H,24,25)
InChIKeyNVAUUNNMXJAQHZ-UHFFFAOYSA-N
MW423.30 g/mol
LogP3.92
Rot. Bonds7

About 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide

2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 46420350) has the molecular formula C20H20Cl2N2O4 and a molecular weight of 423.30 g/mol. Its IUPAC name is 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID46420350
Molecular FormulaC20H20Cl2N2O4
Molecular Weight423.30 g/mol
Exact Mass422.08
IUPAC Name2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(COc1cc(Cl)ccc1Cl)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C20H20Cl2N2O4/c21-13-7-8-16(22)18(10-13)28-12-19(25)24-17-6-2-1-5-15(17)20(26)23-11-14-4-3-9-27-14/h1-2,5-8,10,14H,3-4,9,11-12H2,(H,23,26)(H,24,25)
InChIKeyNVAUUNNMXJAQHZ-UHFFFAOYSA-N
XLogP3.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide
CID 17361745
2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41208350
2-[(2-naphthalen-1-yloxyacetyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17361740
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(oxolan-2-ylmethyl)benzamide
CID 51148171
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 137406946
2-[(2-naphthalen-2-yloxyacetyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41320310
2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17051638
2-[[2-(3-nitrophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17361743
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34658669
3,5-dichloro-4-methoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17361831
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9319672

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 46420350) is 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is O=C(COc1cc(Cl)ccc1Cl)Nc1ccccc1C(=O)NCC1CCCO1.
What is the InChIKey of 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is NVAUUNNMXJAQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O4/c21-13-7-8-16(22)18(10-13)28-12-19(25)24-17-6-2-1-5-15(17)20(26)23-11-14-4-3-9-27-14/h1-2,5-8,10,14H,3-4,9,11-12H2,(H,23,26)(H,24,25).
What are the key properties of 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 423.30 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 46420350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).