3-[[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]methyl]-N-methylbenzamide

C21H23BrN2O2 — CID 33205066

IUPAC3-[[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNC(=O)C2(c3ccc(Br)cc3)CCCC2)c1
InChIInChI=1S/C21H23BrN2O2/c1-23-19(25)16-6-4-5-15(13-16)14-24-20(26)21(11-2-3-12-21)17-7-9-18(22)10-8-17/h4-10,13H,2-3,11-12,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyHJTKZGDMIHIESK-UHFFFAOYSA-N
MW415.33 g/mol
LogP3.94
Rot. Bonds5

About 3-[[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]methyl]-N-methylbenzamide

3-[[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]methyl]-N-methylbenzamide (PubChem CID 33205066) has the molecular formula C21H23BrN2O2 and a molecular weight of 415.33 g/mol. Its IUPAC name is 3-[[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]methyl]-N-methylbenzamide
PubChem CID33205066
Molecular FormulaC21H23BrN2O2
Molecular Weight415.33 g/mol
Exact Mass414.09
IUPAC Name3-[[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNC(=O)C2(c3ccc(Br)cc3)CCCC2)c1
InChIInChI=1S/C21H23BrN2O2/c1-23-19(25)16-6-4-5-15(13-16)14-24-20(26)21(11-2-3-12-21)17-7-9-18(22)10-8-17/h4-10,13H,2-3,11-12,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyHJTKZGDMIHIESK-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]methyl]-N-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

N-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide
CID 33205383
1-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopentane-1-carboxamide
CID 46418726
N-[3-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-fluorobenzamide
CID 52702994
N-[4-[[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide
CID 34012584
1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 2214985
1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
CID 120830481
N-[[3-(methylcarbamoyl)phenyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 33203791
N-methyl-3-[[[N'-methyl-N-[(1-phenylcyclopentyl)methyl]carbamimidoyl]amino]methyl]benzamide
CID 111852772
1-(4-bromophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
CID 112828630
3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]methyl]benzamide
CID 33097792
N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide
CID 134034329
N-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide
CID 104985996

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]methyl]-N-methylbenzamide (CID 33205066) is 3-[[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]methyl]-N-methylbenzamide is CNC(=O)c1cccc(CNC(=O)C2(c3ccc(Br)cc3)CCCC2)c1.
What is the InChIKey of 3-[[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]methyl]-N-methylbenzamide?
The InChIKey is HJTKZGDMIHIESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O2/c1-23-19(25)16-6-4-5-15(13-16)14-24-20(26)21(11-2-3-12-21)17-7-9-18(22)10-8-17/h4-10,13H,2-3,11-12,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-[[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]methyl]-N-methylbenzamide?
3-[[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]methyl]-N-methylbenzamide has a molecular weight of 415.33 g/mol, XLogP of 3.94, 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)cyclopentanecarbonyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 33205066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).