N-[5-(butanoylamino)-2-chlorophenyl]-2,2-dimethylpropanamide

C15H21ClN2O2 — CID 891895

IUPACN-[5-(butanoylamino)-2-chlorophenyl]-2,2-dimethylpropanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C15H21ClN2O2/c1-5-6-13(19)17-10-7-8-11(16)12(9-10)18-14(20)15(2,3)4/h7-9H,5-6H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyIMTWLNFQEBIYAA-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.06
Rot. Bonds4

About N-[5-(butanoylamino)-2-chlorophenyl]-2,2-dimethylpropanamide

N-[5-(butanoylamino)-2-chlorophenyl]-2,2-dimethylpropanamide (PubChem CID 891895) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[5-(butanoylamino)-2-chlorophenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(butanoylamino)-2-chlorophenyl]-2,2-dimethylpropanamide
PubChem CID891895
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[5-(butanoylamino)-2-chlorophenyl]-2,2-dimethylpropanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C15H21ClN2O2/c1-5-6-13(19)17-10-7-8-11(16)12(9-10)18-14(20)15(2,3)4/h7-9H,5-6H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyIMTWLNFQEBIYAA-UHFFFAOYSA-N
XLogP4.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(butanoylamino)-2-chlorophenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(butanoylamino)-2-chlorophenyl]-2,2-dimethylpropanamide (CID 891895) is N-[5-(butanoylamino)-2-chlorophenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(butanoylamino)-2-chlorophenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(butanoylamino)-2-chlorophenyl]-2,2-dimethylpropanamide is CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[5-(butanoylamino)-2-chlorophenyl]-2,2-dimethylpropanamide?
The InChIKey is IMTWLNFQEBIYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-5-6-13(19)17-10-7-8-11(16)12(9-10)18-14(20)15(2,3)4/h7-9H,5-6H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-[5-(butanoylamino)-2-chlorophenyl]-2,2-dimethylpropanamide?
N-[5-(butanoylamino)-2-chlorophenyl]-2,2-dimethylpropanamide has a molecular weight of 296.80 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butanoylamino)-2-chlorophenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 891895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).