N-(5-acetamido-2-chlorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride

C15H21Cl2N3O3 — CID 120785959

IUPACN-(5-acetamido-2-chlorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)C(N)C2CCOCC2)c1.Cl
InChIInChI=1S/C15H20ClN3O3.ClH/c1-9(20)18-11-2-3-12(16)13(8-11)19-15(21)14(17)10-4-6-22-7-5-10;/h2-3,8,10,14H,4-7,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyKHBJFOQIDWPKPP-UHFFFAOYSA-N
MW362.26 g/mol
LogP2.41
Rot. Bonds4

About N-(5-acetamido-2-chlorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride

N-(5-acetamido-2-chlorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120785959) has the molecular formula C15H21Cl2N3O3 and a molecular weight of 362.26 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120785959
Molecular FormulaC15H21Cl2N3O3
Molecular Weight362.26 g/mol
Exact Mass361.10
IUPAC NameN-(5-acetamido-2-chlorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)C(N)C2CCOCC2)c1.Cl
InChIInChI=1S/C15H20ClN3O3.ClH/c1-9(20)18-11-2-3-12(16)13(8-11)19-15(21)14(17)10-4-6-22-7-5-10;/h2-3,8,10,14H,4-7,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyKHBJFOQIDWPKPP-UHFFFAOYSA-N
XLogP2.41
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785529
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786697
2-amino-N-(3,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120782962
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride
CID 120789553
2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120783594
2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784349
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782987
2-amino-N-(2,5-dimethylphenyl)-2-(oxan-4-yl)acetamide
CID 120782547
N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide
CID 120792716

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride (CID 120785959) is N-(5-acetamido-2-chlorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride is CC(=O)Nc1ccc(Cl)c(NC(=O)C(N)C2CCOCC2)c1.Cl.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is KHBJFOQIDWPKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3.ClH/c1-9(20)18-11-2-3-12(16)13(8-11)19-15(21)14(17)10-4-6-22-7-5-10;/h2-3,8,10,14H,4-7,17H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-(5-acetamido-2-chlorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride?
N-(5-acetamido-2-chlorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 362.26 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-chlorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120785959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).