N-[2-(2-bromoanilino)-2-oxoethyl]-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide

C24H24BrN3O3 — CID 55758114

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)N(C)CC(=O)Nc2ccccc2Br)cc(C)c1OCc1cccnc1
InChIInChI=1S/C24H24BrN3O3/c1-16-11-19(12-17(2)23(16)31-15-18-7-6-10-26-13-18)24(30)28(3)14-22(29)27-21-9-5-4-8-20(21)25/h4-13H,14-15H2,1-3H3,(H,27,29)
InChIKeyOAFGOVOIIAVBIM-UHFFFAOYSA-N
MW482.38 g/mol
LogP4.75
Rot. Bonds7

About N-[2-(2-bromoanilino)-2-oxoethyl]-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide

N-[2-(2-bromoanilino)-2-oxoethyl]-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55758114) has the molecular formula C24H24BrN3O3 and a molecular weight of 482.38 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID55758114
Molecular FormulaC24H24BrN3O3
Molecular Weight482.38 g/mol
Exact Mass481.10
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)N(C)CC(=O)Nc2ccccc2Br)cc(C)c1OCc1cccnc1
InChIInChI=1S/C24H24BrN3O3/c1-16-11-19(12-17(2)23(16)31-15-18-7-6-10-26-13-18)24(30)28(3)14-22(29)27-21-9-5-4-8-20(21)25/h4-13H,14-15H2,1-3H3,(H,27,29)
InChIKeyOAFGOVOIIAVBIM-UHFFFAOYSA-N
XLogP4.75
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.38
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]-methylamino]-2-methylpropanoic acid
CID 120524284
N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 119656225
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 75370477
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-3,5-dinitrobenzamide
CID 26896533
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 51146033
N-[3-[4-(dimethylamino)phenyl]propyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 46453709
N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151708
N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide
CID 55691668
3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 47031577

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide (CID 55758114) is N-[2-(2-bromoanilino)-2-oxoethyl]-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide is Cc1cc(C(=O)N(C)CC(=O)Nc2ccccc2Br)cc(C)c1OCc1cccnc1.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is OAFGOVOIIAVBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O3/c1-16-11-19(12-17(2)23(16)31-15-18-7-6-10-26-13-18)24(30)28(3)14-22(29)27-21-9-5-4-8-20(21)25/h4-13H,14-15H2,1-3H3,(H,27,29).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 482.38 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55758114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).