N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-diphenylpropanamide

C29H32ClN3O2 — CID 3558891

IUPACN-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-diphenylpropanamide
SMILESCC(C)C(=O)N1CCN(c2ccc(NC(=O)C(C)(c3ccccc3)c3ccccc3)cc2Cl)CC1
InChIInChI=1S/C29H32ClN3O2/c1-21(2)27(34)33-18-16-32(17-19-33)26-15-14-24(20-25(26)30)31-28(35)29(3,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-15,20-21H,16-19H2,1-3H3,(H,31,35)
InChIKeyHHTMENYIXFBJCV-UHFFFAOYSA-N
MW490.05 g/mol
LogP5.59
Rot. Bonds6

About N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-diphenylpropanamide

N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-diphenylpropanamide (PubChem CID 3558891) has the molecular formula C29H32ClN3O2 and a molecular weight of 490.05 g/mol. Its IUPAC name is N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-diphenylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-diphenylpropanamide
PubChem CID3558891
Molecular FormulaC29H32ClN3O2
Molecular Weight490.05 g/mol
Exact Mass489.22
IUPAC NameN-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-diphenylpropanamide
SMILESCC(C)C(=O)N1CCN(c2ccc(NC(=O)C(C)(c3ccccc3)c3ccccc3)cc2Cl)CC1
InChIInChI=1S/C29H32ClN3O2/c1-21(2)27(34)33-18-16-32(17-19-33)26-15-14-24(20-25(26)30)31-28(35)29(3,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-15,20-21H,16-19H2,1-3H3,(H,31,35)
InChIKeyHHTMENYIXFBJCV-UHFFFAOYSA-N
XLogP5.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.05
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide
CID 979626
N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-phenylprop-2-enamide
CID 4001436
N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-phenylacetamide
CID 3933059
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-methylpropanamide
CID 3161464
N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methylbenzamide
CID 1395474
2-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]anilino]methylidene]propanedinitrile
CID 168543218
3,5-dichloro-N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-methoxybenzamide
CID 5116507
2,2,2-trichloro-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide
CID 17358214
N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide
CID 4010139
N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methylbenzamide
CID 4222136
N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-iodobenzamide
CID 4024109
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide
CID 17066065

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-diphenylpropanamide?
The IUPAC name of N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-diphenylpropanamide (CID 3558891) is N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-diphenylpropanamide.
What is the SMILES notation for N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-diphenylpropanamide?
The canonical SMILES for N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-diphenylpropanamide is CC(C)C(=O)N1CCN(c2ccc(NC(=O)C(C)(c3ccccc3)c3ccccc3)cc2Cl)CC1.
What is the InChIKey of N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-diphenylpropanamide?
The InChIKey is HHTMENYIXFBJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN3O2/c1-21(2)27(34)33-18-16-32(17-19-33)26-15-14-24(20-25(26)30)31-28(35)29(3,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-15,20-21H,16-19H2,1-3H3,(H,31,35).
What are the key properties of N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-diphenylpropanamide?
N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-diphenylpropanamide has a molecular weight of 490.05 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-diphenylpropanamide is sourced from PubChem (CID 3558891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).