2-(4-bromophenoxy)-2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide

C28H30BrN3O3 — CID 17313637

IUPAC2-(4-bromophenoxy)-2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
SMILESCc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C28H30BrN3O3/c1-20-6-4-5-7-25(20)26(33)32-18-16-31(17-19-32)23-12-10-22(11-13-23)30-27(34)28(2,3)35-24-14-8-21(29)9-15-24/h4-15H,16-19H2,1-3H3,(H,30,34)
InChIKeyHPNBCWDXOWAGLF-UHFFFAOYSA-N
MW536.47 g/mol
LogP5.52
Rot. Bonds6

About 2-(4-bromophenoxy)-2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide

2-(4-bromophenoxy)-2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide (PubChem CID 17313637) has the molecular formula C28H30BrN3O3 and a molecular weight of 536.47 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
PubChem CID17313637
Molecular FormulaC28H30BrN3O3
Molecular Weight536.47 g/mol
Exact Mass535.15
IUPAC Name2-(4-bromophenoxy)-2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
SMILESCc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C28H30BrN3O3/c1-20-6-4-5-7-25(20)26(33)32-18-16-31(17-19-32)23-12-10-22(11-13-23)30-27(34)28(2,3)35-24-14-8-21(29)9-15-24/h4-15H,16-19H2,1-3H3,(H,30,34)
InChIKeyHPNBCWDXOWAGLF-UHFFFAOYSA-N
XLogP5.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.47
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-(4-bromophenoxy)-2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide 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

2-(4-bromophenoxy)-N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-methylpropanamide
CID 17099124
4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056093
2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 4500933
2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 2948670
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056092
N-(4-bromophenyl)-2-methyl-2-phenoxypropanamide
CID 11858792
2-bromo-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 4501591
2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide
CID 17335046
1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea
CID 1056825
(2S)-2-chloro-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
CID 1056129
2-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-phenoxypropanamide
CID 30309424
2-(4-chlorophenoxy)-2-methyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]propanamide
CID 17358413

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide (CID 17313637) is 2-(4-bromophenoxy)-2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide is Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)cc2)CC1.
What is the InChIKey of 2-(4-bromophenoxy)-2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide?
The InChIKey is HPNBCWDXOWAGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30BrN3O3/c1-20-6-4-5-7-25(20)26(33)32-18-16-31(17-19-32)23-12-10-22(11-13-23)30-27(34)28(2,3)35-24-14-8-21(29)9-15-24/h4-15H,16-19H2,1-3H3,(H,30,34).
What are the key properties of 2-(4-bromophenoxy)-2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide?
2-(4-bromophenoxy)-2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide has a molecular weight of 536.47 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide is sourced from PubChem (CID 17313637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).