N-[2,6-dichloro-4-[2-(propan-2-ylamino)propanoyl]phenyl]acetamide;hydrochloride

C14H19Cl3N2O2 — CID 3024735

IUPACN-[2,6-dichloro-4-[2-(propan-2-ylamino)propanoyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1c(Cl)cc(C(=O)C(C)NC(C)C)cc1Cl.Cl
InChIInChI=1S/C14H18Cl2N2O2.ClH/c1-7(2)17-8(3)14(20)10-5-11(15)13(12(16)6-10)18-9(4)19;/h5-8,17H,1-4H3,(H,18,19);1H
InChIKeyZGSLFMOFIPOUFY-UHFFFAOYSA-N
MW353.68 g/mol
LogP3.94
Rot. Bonds5

About N-[2,6-dichloro-4-[2-(propan-2-ylamino)propanoyl]phenyl]acetamide;hydrochloride

N-[2,6-dichloro-4-[2-(propan-2-ylamino)propanoyl]phenyl]acetamide;hydrochloride (PubChem CID 3024735) has the molecular formula C14H19Cl3N2O2 and a molecular weight of 353.68 g/mol. Its IUPAC name is N-[2,6-dichloro-4-[2-(propan-2-ylamino)propanoyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2,6-dichloro-4-[2-(propan-2-ylamino)propanoyl]phenyl]acetamide;hydrochloride
PubChem CID3024735
Molecular FormulaC14H19Cl3N2O2
Molecular Weight353.68 g/mol
Exact Mass352.05
IUPAC NameN-[2,6-dichloro-4-[2-(propan-2-ylamino)propanoyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1c(Cl)cc(C(=O)C(C)NC(C)C)cc1Cl.Cl
InChIInChI=1S/C14H18Cl2N2O2.ClH/c1-7(2)17-8(3)14(20)10-5-11(15)13(12(16)6-10)18-9(4)19;/h5-8,17H,1-4H3,(H,18,19);1H
InChIKeyZGSLFMOFIPOUFY-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.68
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-dichloro-4-[2-(propan-2-ylamino)propanoyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[2,6-dichloro-4-[2-(propan-2-ylamino)propanoyl]phenyl]acetamide;hydrochloride (CID 3024735) is N-[2,6-dichloro-4-[2-(propan-2-ylamino)propanoyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2,6-dichloro-4-[2-(propan-2-ylamino)propanoyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[2,6-dichloro-4-[2-(propan-2-ylamino)propanoyl]phenyl]acetamide;hydrochloride is CC(=O)Nc1c(Cl)cc(C(=O)C(C)NC(C)C)cc1Cl.Cl.
What is the InChIKey of N-[2,6-dichloro-4-[2-(propan-2-ylamino)propanoyl]phenyl]acetamide;hydrochloride?
The InChIKey is ZGSLFMOFIPOUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2.ClH/c1-7(2)17-8(3)14(20)10-5-11(15)13(12(16)6-10)18-9(4)19;/h5-8,17H,1-4H3,(H,18,19);1H.
What are the key properties of N-[2,6-dichloro-4-[2-(propan-2-ylamino)propanoyl]phenyl]acetamide;hydrochloride?
N-[2,6-dichloro-4-[2-(propan-2-ylamino)propanoyl]phenyl]acetamide;hydrochloride has a molecular weight of 353.68 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dichloro-4-[2-(propan-2-ylamino)propanoyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 3024735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).