1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide

C23H28BrN3O — CID 55715107

IUPAC1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)C3(c4cccc(Br)c4)CC3)cc2)CC1
InChIInChI=1S/C23H28BrN3O/c1-2-26-12-14-27(15-13-26)17-18-6-8-21(9-7-18)25-22(28)23(10-11-23)19-4-3-5-20(24)16-19/h3-9,16H,2,10-15,17H2,1H3,(H,25,28)
InChIKeyGTFIDULQYIAQMR-UHFFFAOYSA-N
MW442.40 g/mol
LogP4.26
Rot. Bonds6

About 1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide

1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 55715107) has the molecular formula C23H28BrN3O and a molecular weight of 442.40 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
PubChem CID55715107
Molecular FormulaC23H28BrN3O
Molecular Weight442.40 g/mol
Exact Mass441.14
IUPAC Name1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)C3(c4cccc(Br)c4)CC3)cc2)CC1
InChIInChI=1S/C23H28BrN3O/c1-2-26-12-14-27(15-13-26)17-18-6-8-21(9-7-18)25-22(28)23(10-11-23)19-4-3-5-20(24)16-19/h3-9,16H,2,10-15,17H2,1H3,(H,25,28)
InChIKeyGTFIDULQYIAQMR-UHFFFAOYSA-N
XLogP4.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-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

1-(3-bromophenyl)-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]cyclopropane-1-carboxamide
CID 55804460
1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 119901588
1-(3-bromophenyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 55745166
4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide
CID 55556786
1-(3-bromophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
CID 55624123
2-[4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696186
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(2-methylphenyl)acetamide
CID 55664598
3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 55911957
1-(3-bromophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 55957750
ethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate
CID 66765078
N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide
CID 134034329
1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide
CID 134034350

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide (CID 55715107) is 1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide is CCN1CCN(Cc2ccc(NC(=O)C3(c4cccc(Br)c4)CC3)cc2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is GTFIDULQYIAQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrN3O/c1-2-26-12-14-27(15-13-26)17-18-6-8-21(9-7-18)25-22(28)23(10-11-23)19-4-3-5-20(24)16-19/h3-9,16H,2,10-15,17H2,1H3,(H,25,28).
What are the key properties of 1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide?
1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 442.40 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55715107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).