3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide

C14H20ClN3O2 — CID 102663922

IUPAC3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide
SMILESNC(=O)c1ccc(CNCCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c15-13-9-11(14(16)19)1-2-12(13)10-17-3-4-18-5-7-20-8-6-18/h1-2,9,17H,3-8,10H2,(H2,16,19)
InChIKeyKAKGGICXBBAHGG-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.86
Rot. Bonds6

About 3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide

3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide (PubChem CID 102663922) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide
PubChem CID102663922
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide
SMILESNC(=O)c1ccc(CNCCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c15-13-9-11(14(16)19)1-2-12(13)10-17-3-4-18-5-7-20-8-6-18/h1-2,9,17H,3-8,10H2,(H2,16,19)
InChIKeyKAKGGICXBBAHGG-UHFFFAOYSA-N
XLogP0.86
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N'-hydroxy-4-[(2-morpholin-4-ylethylamino)methyl]benzenecarboximidamide
CID 102667040
4-[(2-morpholin-4-ylethylamino)methyl]benzamide
CID 28583134
2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide
CID 6471305
2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone
CID 117425550
3-chloro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzamide
CID 102665002
3-chloro-4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]benzamide
CID 102664788
4-[(but-3-ynylamino)methyl]-3-chlorobenzamide
CID 102664571
3-chloro-4-[(pentylamino)methyl]benzamide
CID 102663787
4-[(2-morpholin-4-ylethylamino)methyl]benzoic acid;dihydrochloride
CID 17159786
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502
3-chloro-4-[(3-methylsulfinylpropylamino)methyl]benzamide
CID 102665106
3-chloro-4-[(3-hydroxybutylamino)methyl]benzamide
CID 102664624

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide?
The IUPAC name of 3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide (CID 102663922) is 3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide?
The canonical SMILES for 3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide is NC(=O)c1ccc(CNCCN2CCOCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide?
The InChIKey is KAKGGICXBBAHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c15-13-9-11(14(16)19)1-2-12(13)10-17-3-4-18-5-7-20-8-6-18/h1-2,9,17H,3-8,10H2,(H2,16,19).
What are the key properties of 3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide?
3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide has a molecular weight of 297.79 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide is sourced from PubChem (CID 102663922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).