N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide

C19H28ClN3O2 — CID 17066065

IUPACN-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C19H28ClN3O2/c1-13(2)17(24)23-10-8-22(9-11-23)16-7-6-14(20)12-15(16)21-18(25)19(3,4)5/h6-7,12-13H,8-11H2,1-5H3,(H,21,25)
InChIKeyLWVFASWOJHOJPU-UHFFFAOYSA-N
MW365.91 g/mol
LogP3.63
Rot. Bonds3

About N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide

N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 17066065) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide
PubChem CID17066065
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC NameN-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C19H28ClN3O2/c1-13(2)17(24)23-10-8-22(9-11-23)16-7-6-14(20)12-15(16)21-18(25)19(3,4)5/h6-7,12-13H,8-11H2,1-5H3,(H,21,25)
InChIKeyLWVFASWOJHOJPU-UHFFFAOYSA-N
XLogP3.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-methylbutanamide
CID 17066063
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]formamide
CID 168653889
2-[[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]anilino]methylidene]propanedinitrile
CID 168542812
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-methylbenzamide
CID 17066106
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-2-carboxamide
CID 17066078
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-yloxybenzamide
CID 17066104
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-fluorobenzamide
CID 17066085
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 17066174
2-(4-chloro-3,5-dimethylphenoxy)-N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 17066165
N-[[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]carbamothioyl]-2,2-dimethylpropanamide
CID 17091965
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-cyano-2-fluorobenzamide
CID 17066142
(E)-N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 43913588

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide (CID 17066065) is N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide is CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)C(C)(C)C)CC1.
What is the InChIKey of N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is LWVFASWOJHOJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-13(2)17(24)23-10-8-22(9-11-23)16-7-6-14(20)12-15(16)21-18(25)19(3,4)5/h6-7,12-13H,8-11H2,1-5H3,(H,21,25).
What are the key properties of N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide?
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 365.91 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 17066065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).