4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride

C12H16Cl2N2O2 — CID 119724858

IUPAC4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride
SMILESCl.Nc1ccc(C(=O)NC2CCOCC2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O2.ClH/c13-11-7-8(14)1-2-10(11)12(16)15-9-3-5-17-6-4-9;/h1-2,7,9H,3-6,14H2,(H,15,16);1H
InChIKeyIQDRMDLWRWMZTK-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.25
Rot. Bonds2

About 4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride

4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride (PubChem CID 119724858) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride
PubChem CID119724858
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride
SMILESCl.Nc1ccc(C(=O)NC2CCOCC2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O2.ClH/c13-11-7-8(14)1-2-10(11)12(16)15-9-3-5-17-6-4-9;/h1-2,7,9H,3-6,14H2,(H,15,16);1H
InChIKeyIQDRMDLWRWMZTK-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide
CID 119724818
4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 61112400
4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55245874
5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide
CID 16796108
2-amino-4-chloro-N-(oxolan-3-yl)benzamide
CID 80717146
4-amino-2-chloro-N-(2-propan-2-ylcyclohexyl)benzamide;hydrochloride
CID 119775791
2-amino-4-methoxy-N-(oxan-4-yl)benzamide
CID 89025989
5-amino-2-methyl-N-[4-(oxan-4-ylcarbamoyl)phenyl]benzamide;hydrochloride
CID 120637133
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
2,4-dibromo-N-(oxan-4-yl)benzamide
CID 103882568
5-amino-2-chloro-N-(thiolan-3-yl)benzamide
CID 103062189
6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 168678064

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride?
The IUPAC name of 4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride (CID 119724858) is 4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride?
The canonical SMILES for 4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride is Cl.Nc1ccc(C(=O)NC2CCOCC2)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride?
The InChIKey is IQDRMDLWRWMZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2.ClH/c13-11-7-8(14)1-2-10(11)12(16)15-9-3-5-17-6-4-9;/h1-2,7,9H,3-6,14H2,(H,15,16);1H.
What are the key properties of 4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride?
4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride has a molecular weight of 291.18 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 119724858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).