4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide

C14H19ClN2O2 — CID 119724818

IUPAC4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide
SMILESNc1ccc(C(=O)NCCC2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c15-13-9-11(16)1-2-12(13)14(18)17-6-3-10-4-7-19-8-5-10/h1-2,9-10H,3-8,16H2,(H,17,18)
InChIKeyQLHFSFQNQWEPDF-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.47
Rot. Bonds4

About 4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide

4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide (PubChem CID 119724818) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide
PubChem CID119724818
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide
SMILESNc1ccc(C(=O)NCCC2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c15-13-9-11(16)1-2-12(13)14(18)17-6-3-10-4-7-19-8-5-10/h1-2,9-10H,3-8,16H2,(H,17,18)
InChIKeyQLHFSFQNQWEPDF-UHFFFAOYSA-N
XLogP2.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.47
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-(oxolan-3-ylmethyl)benzamide
CID 61112400
4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride
CID 119724858
4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide
CID 61140038
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 81133927
3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide
CID 124679731
4-amino-2-chloro-N-(3-hydroxypropyl)benzamide
CID 43167675
4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118704
4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415090
ethane;2-fluoro-4-methyl-N-[2-(oxan-4-yl)ethyl]benzamide
CID 144540979
4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241420
2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514867

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide?
The IUPAC name of 4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide (CID 119724818) is 4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide?
The canonical SMILES for 4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide is Nc1ccc(C(=O)NCCC2CCOCC2)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide?
The InChIKey is QLHFSFQNQWEPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-13-9-11(16)1-2-12(13)14(18)17-6-3-10-4-7-19-8-5-10/h1-2,9-10H,3-8,16H2,(H,17,18).
What are the key properties of 4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide?
4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide has a molecular weight of 282.77 g/mol, XLogP of 2.47, 4 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-[2-(oxan-4-yl)ethyl]benzamide is sourced from PubChem (CID 119724818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).