2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide

C25H32ClN3O3 — CID 17335046

IUPAC2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide
SMILESCC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C25H32ClN3O3/c1-24(2,3)23(31)29-16-14-28(15-17-29)20-10-8-19(9-11-20)27-22(30)25(4,5)32-21-12-6-18(26)7-13-21/h6-13H,14-17H2,1-5H3,(H,27,30)
InChIKeySLQKDGNQWZSPHF-UHFFFAOYSA-N
MW458.00 g/mol
LogP4.83
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide (PubChem CID 17335046) has the molecular formula C25H32ClN3O3 and a molecular weight of 458.00 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide
PubChem CID17335046
Molecular FormulaC25H32ClN3O3
Molecular Weight458.00 g/mol
Exact Mass457.21
IUPAC Name2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide
SMILESCC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C25H32ClN3O3/c1-24(2,3)23(31)29-16-14-28(15-17-29)20-10-8-19(9-11-20)27-22(30)25(4,5)32-21-12-6-18(26)7-13-21/h6-13H,14-17H2,1-5H3,(H,27,30)
InChIKeySLQKDGNQWZSPHF-UHFFFAOYSA-N
XLogP4.83
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.00
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]propanamide
CID 17358413
2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide
CID 90595323
4-chloro-N-[[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 17334098
2-(4-chlorophenoxy)-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]propanamide
CID 91968027
2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide
CID 887329
4-[4-[2-(4-chlorophenoxy)-2-methylpropanoyl]-1,4-diazepan-1-yl]benzonitrile
CID 55720426
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)-2-methylpropanamide
CID 90767465
2-(4-chlorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 7551162
2-(4-bromophenoxy)-2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
CID 17313637
4-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3867518
2-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoic acid
CID 22399353
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide
CID 888392

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide (CID 17335046) is 2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide is CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide?
The InChIKey is SLQKDGNQWZSPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O3/c1-24(2,3)23(31)29-16-14-28(15-17-29)20-10-8-19(9-11-20)27-22(30)25(4,5)32-21-12-6-18(26)7-13-21/h6-13H,14-17H2,1-5H3,(H,27,30).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide has a molecular weight of 458.00 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 17335046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).