2-chloro-N-methyl-5-(oxan-3-ylmethylamino)benzamide

C14H19ClN2O2 — CID 63740745

IUPAC2-chloro-N-methyl-5-(oxan-3-ylmethylamino)benzamide
SMILESCNC(=O)c1cc(NCC2CCCOC2)ccc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-16-14(18)12-7-11(4-5-13(12)15)17-8-10-3-2-6-19-9-10/h4-5,7,10,17H,2-3,6,8-9H2,1H3,(H,16,18)
InChIKeyACEAQORPLVBNGC-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.54
Rot. Bonds4

About 2-chloro-N-methyl-5-(oxan-3-ylmethylamino)benzamide

2-chloro-N-methyl-5-(oxan-3-ylmethylamino)benzamide (PubChem CID 63740745) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-(oxan-3-ylmethylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-(oxan-3-ylmethylamino)benzamide
PubChem CID63740745
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-chloro-N-methyl-5-(oxan-3-ylmethylamino)benzamide
SMILESCNC(=O)c1cc(NCC2CCCOC2)ccc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-16-14(18)12-7-11(4-5-13(12)15)17-8-10-3-2-6-19-9-10/h4-5,7,10,17H,2-3,6,8-9H2,1H3,(H,16,18)
InChIKeyACEAQORPLVBNGC-UHFFFAOYSA-N
XLogP2.54
TPSA50.36 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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62659261
2-chloro-N-methyl-5-(thiolan-3-ylmethylamino)benzamide
CID 107131863
2-fluoro-5-(oxan-3-ylmethylamino)benzoic acid
CID 63741089
2-chloro-5-(oxan-3-ylmethylamino)benzonitrile
CID 63737537
N,2-dimethyl-3-(oxan-3-ylmethylamino)benzamide
CID 63740558
2-chloro-4-(oxan-3-ylmethylamino)benzonitrile
CID 62945030
N-ethyl-2-[4-(oxan-3-ylmethylamino)phenyl]acetamide
CID 63741623
N-[2-chloro-4-(oxolan-3-ylmethylamino)phenyl]acetamide
CID 43690243
4-chloro-3-(oxan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396604
N-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide
CID 63737546
2-[4-(oxan-3-ylmethylamino)phenyl]acetamide
CID 63739848
4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide
CID 61140038

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-(oxan-3-ylmethylamino)benzamide?
The IUPAC name of 2-chloro-N-methyl-5-(oxan-3-ylmethylamino)benzamide (CID 63740745) is 2-chloro-N-methyl-5-(oxan-3-ylmethylamino)benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-(oxan-3-ylmethylamino)benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-(oxan-3-ylmethylamino)benzamide is CNC(=O)c1cc(NCC2CCCOC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-(oxan-3-ylmethylamino)benzamide?
The InChIKey is ACEAQORPLVBNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-16-14(18)12-7-11(4-5-13(12)15)17-8-10-3-2-6-19-9-10/h4-5,7,10,17H,2-3,6,8-9H2,1H3,(H,16,18).
What are the key properties of 2-chloro-N-methyl-5-(oxan-3-ylmethylamino)benzamide?
2-chloro-N-methyl-5-(oxan-3-ylmethylamino)benzamide has a molecular weight of 282.77 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-(oxan-3-ylmethylamino)benzamide is sourced from PubChem (CID 63740745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).