2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C20H19BrCl2N2O4 — CID 41208350

IUPAC2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(COc1c(Cl)cc(Cl)cc1Br)Nc1ccccc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C20H19BrCl2N2O4/c21-15-8-12(22)9-16(23)19(15)29-11-18(26)25-17-6-2-1-5-14(17)20(27)24-10-13-4-3-7-28-13/h1-2,5-6,8-9,13H,3-4,7,10-11H2,(H,24,27)(H,25,26)/t13-/m1/s1
InChIKeyYMOHZAHKSGSEAT-CYBMUJFWSA-N
MW502.19 g/mol
LogP4.68
Rot. Bonds7

About 2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 41208350) has the molecular formula C20H19BrCl2N2O4 and a molecular weight of 502.19 g/mol. Its IUPAC name is 2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID41208350
Molecular FormulaC20H19BrCl2N2O4
Molecular Weight502.19 g/mol
Exact Mass499.99
IUPAC Name2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(COc1c(Cl)cc(Cl)cc1Br)Nc1ccccc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C20H19BrCl2N2O4/c21-15-8-12(22)9-16(23)19(15)29-11-18(26)25-17-6-2-1-5-14(17)20(27)24-10-13-4-3-7-28-13/h1-2,5-6,8-9,13H,3-4,7,10-11H2,(H,24,27)(H,25,26)/t13-/m1/s1
InChIKeyYMOHZAHKSGSEAT-CYBMUJFWSA-N
XLogP4.68
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.19
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 46420350
2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17095359
2-[(2-naphthalen-2-yloxyacetyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41320310
2-[(2-naphthalen-1-yloxyacetyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17361740
N-(oxolan-2-ylmethyl)-2-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide
CID 17361745
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
3,5-dichloro-4-methoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17361831
2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17051638
3-bromo-4-(oxolan-2-ylmethoxy)-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17131771
2-[[2-(3-nitrophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17361743
2-[(2-chlorobenzoyl)carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935508
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 137406946

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 41208350) is 2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is O=C(COc1c(Cl)cc(Cl)cc1Br)Nc1ccccc1C(=O)NC[C@H]1CCCO1.
What is the InChIKey of 2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is YMOHZAHKSGSEAT-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19BrCl2N2O4/c21-15-8-12(22)9-16(23)19(15)29-11-18(26)25-17-6-2-1-5-14(17)20(27)24-10-13-4-3-7-28-13/h1-2,5-6,8-9,13H,3-4,7,10-11H2,(H,24,27)(H,25,26)/t13-/m1/s1.
What are the key properties of 2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 502.19 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 41208350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).