3-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]-N-ethyl-4-methylbenzamide

C21H23BrN2O2 — CID 55782733

IUPAC3-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)C2(c3ccc(Br)cc3)CCC2)c1
InChIInChI=1S/C21H23BrN2O2/c1-3-23-19(25)15-6-5-14(2)18(13-15)24-20(26)21(11-4-12-21)16-7-9-17(22)10-8-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyRGFZMRSVRQAASO-UHFFFAOYSA-N
MW415.33 g/mol
LogP4.57
Rot. Bonds5

About 3-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]-N-ethyl-4-methylbenzamide

3-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]-N-ethyl-4-methylbenzamide (PubChem CID 55782733) has the molecular formula C21H23BrN2O2 and a molecular weight of 415.33 g/mol. Its IUPAC name is 3-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]-N-ethyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]-N-ethyl-4-methylbenzamide
PubChem CID55782733
Molecular FormulaC21H23BrN2O2
Molecular Weight415.33 g/mol
Exact Mass414.09
IUPAC Name3-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)C2(c3ccc(Br)cc3)CCC2)c1
InChIInChI=1S/C21H23BrN2O2/c1-3-23-19(25)15-6-5-14(2)18(13-15)24-20(26)21(11-4-12-21)16-7-9-17(22)10-8-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyRGFZMRSVRQAASO-UHFFFAOYSA-N
XLogP4.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]-N-ethyl-4-methylbenzamide 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

3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
1-(4-aminophenyl)-N-(5-bromo-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913411
3-[(5-bromo-2-iodobenzoyl)amino]-N-ethyl-4-methylbenzamide
CID 55782441
1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 86920161
3-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]oxolane-3-carboxamide
CID 64891539
4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821516
N-[3-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4-methylphenyl]furan-2-carboxamide
CID 28624182
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 60867288
1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 78845434
N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide
CID 46384112
N-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 27445227
N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]-N-ethyl-4-methylbenzamide?
The IUPAC name of 3-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]-N-ethyl-4-methylbenzamide (CID 55782733) is 3-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]-N-ethyl-4-methylbenzamide.
What is the SMILES notation for 3-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]-N-ethyl-4-methylbenzamide?
The canonical SMILES for 3-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]-N-ethyl-4-methylbenzamide is CCNC(=O)c1ccc(C)c(NC(=O)C2(c3ccc(Br)cc3)CCC2)c1.
What is the InChIKey of 3-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]-N-ethyl-4-methylbenzamide?
The InChIKey is RGFZMRSVRQAASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O2/c1-3-23-19(25)15-6-5-14(2)18(13-15)24-20(26)21(11-4-12-21)16-7-9-17(22)10-8-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]-N-ethyl-4-methylbenzamide?
3-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]-N-ethyl-4-methylbenzamide has a molecular weight of 415.33 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]-N-ethyl-4-methylbenzamide is sourced from PubChem (CID 55782733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).