2-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-fluoro-N-(oxolan-2-ylmethyl)benzamide

C22H24BrFN2O3 — CID 55406126

IUPAC2-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-fluoro-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cccc(NC(=O)CN(CC2CCCO2)C(=O)c2cc(F)ccc2Br)c1C
InChIInChI=1S/C22H24BrFN2O3/c1-14-5-3-7-20(15(14)2)25-21(27)13-26(12-17-6-4-10-29-17)22(28)18-11-16(24)8-9-19(18)23/h3,5,7-9,11,17H,4,6,10,12-13H2,1-2H3,(H,25,27)
InChIKeyOWBRUEXKPMGVGA-UHFFFAOYSA-N
MW463.35 g/mol
LogP4.46
Rot. Bonds6

About 2-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-fluoro-N-(oxolan-2-ylmethyl)benzamide

2-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-fluoro-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 55406126) has the molecular formula C22H24BrFN2O3 and a molecular weight of 463.35 g/mol. Its IUPAC name is 2-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-fluoro-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-fluoro-N-(oxolan-2-ylmethyl)benzamide
PubChem CID55406126
Molecular FormulaC22H24BrFN2O3
Molecular Weight463.35 g/mol
Exact Mass462.10
IUPAC Name2-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-fluoro-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cccc(NC(=O)CN(CC2CCCO2)C(=O)c2cc(F)ccc2Br)c1C
InChIInChI=1S/C22H24BrFN2O3/c1-14-5-3-7-20(15(14)2)25-21(27)13-26(12-17-6-4-10-29-17)22(28)18-11-16(24)8-9-19(18)23/h3,5,7-9,11,17H,4,6,10,12-13H2,1-2H3,(H,25,27)
InChIKeyOWBRUEXKPMGVGA-UHFFFAOYSA-N
XLogP4.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.35
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-fluoro-N-(oxolan-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 8012550
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51931567
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8504343
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-nitro-N-[[(2S)-oxolan-2-yl]methyl]thiophene-3-carboxamide
CID 51958283
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methyl-4-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8504329
2-[(2-chloro-4-fluorophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 55558930
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 8002175
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55331652
N-(2,3-dimethylphenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 41306981
N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 86911150
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(oxolan-2-ylmethyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 55380619
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 8001195

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-fluoro-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-fluoro-N-(oxolan-2-ylmethyl)benzamide (CID 55406126) is 2-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-fluoro-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-fluoro-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-fluoro-N-(oxolan-2-ylmethyl)benzamide is Cc1cccc(NC(=O)CN(CC2CCCO2)C(=O)c2cc(F)ccc2Br)c1C.
What is the InChIKey of 2-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-fluoro-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is OWBRUEXKPMGVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrFN2O3/c1-14-5-3-7-20(15(14)2)25-21(27)13-26(12-17-6-4-10-29-17)22(28)18-11-16(24)8-9-19(18)23/h3,5,7-9,11,17H,4,6,10,12-13H2,1-2H3,(H,25,27).
What are the key properties of 2-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-fluoro-N-(oxolan-2-ylmethyl)benzamide?
2-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-fluoro-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 463.35 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-fluoro-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 55406126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).