1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide

C21H23BrN2O2 — CID 28624202

IUPAC1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)c1
InChIInChI=1S/C21H23BrN2O2/c1-2-19(25)23-17-6-5-7-18(14-17)24-20(26)21(12-3-4-13-21)15-8-10-16(22)11-9-15/h5-11,14H,2-4,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyNJYRHQXHGMHBRT-UHFFFAOYSA-N
MW415.33 g/mol
LogP5.25
Rot. Bonds5

About 1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide

1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide (PubChem CID 28624202) has the molecular formula C21H23BrN2O2 and a molecular weight of 415.33 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide
PubChem CID28624202
Molecular FormulaC21H23BrN2O2
Molecular Weight415.33 g/mol
Exact Mass414.09
IUPAC Name1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)c1
InChIInChI=1S/C21H23BrN2O2/c1-2-19(25)23-17-6-5-7-18(14-17)24-20(26)21(12-3-4-13-21)15-8-10-16(22)11-9-15/h5-11,14H,2-4,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyNJYRHQXHGMHBRT-UHFFFAOYSA-N
XLogP5.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.33
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide 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-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide
CID 46451248
1-(4-bromophenyl)-N-(3-methylsulfonylphenyl)cyclopropane-1-carboxamide
CID 33159530
N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide
CID 112846002
1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide
CID 46561555
ethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate
CID 4162614
methyl 4-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]benzoate
CID 18277869
N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119352047
1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 86920161
N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
4-methyl-N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 63122404

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide (CID 28624202) is 1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide is CCC(=O)Nc1cccc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide?
The InChIKey is NJYRHQXHGMHBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O2/c1-2-19(25)23-17-6-5-7-18(14-17)24-20(26)21(12-3-4-13-21)15-8-10-16(22)11-9-15/h5-11,14H,2-4,12-13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide?
1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide has a molecular weight of 415.33 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 28624202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).