4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide

C12H16ClN3O2 — CID 83102235

IUPAC4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1Cc1cc(N)ccc1Cl
InChIInChI=1S/C12H16ClN3O2/c13-10-2-1-9(14)5-8(10)6-16-3-4-18-7-11(16)12(15)17/h1-2,5,11H,3-4,6-7,14H2,(H2,15,17)
InChIKeyNPQKDGKHZMYKTQ-UHFFFAOYSA-N
MW269.73 g/mol
LogP0.61
Rot. Bonds3

About 4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide

4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide (PubChem CID 83102235) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide
PubChem CID83102235
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1Cc1cc(N)ccc1Cl
InChIInChI=1S/C12H16ClN3O2/c13-10-2-1-9(14)5-8(10)6-16-3-4-18-7-11(16)12(15)17/h1-2,5,11H,3-4,6-7,14H2,(H2,15,17)
InChIKeyNPQKDGKHZMYKTQ-UHFFFAOYSA-N
XLogP0.61
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098354
4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83106435
4-[(6-amino-3-chloro-2-pyridinyl)methyl]morpholine-3-carboxamide
CID 83095377
4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide
CID 83101795
4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
CID 83101444
4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide
CID 104513819
5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 83095889
4-[(2-amino-5-nitrophenyl)methyl]morpholine-3-carboxamide
CID 83095659
4-(pyridin-4-ylmethyl)morpholine-3-carboxamide
CID 132970427
4-[(2-chloro-4-pyridinyl)methyl]morpholine-3-carboxamide
CID 83092821
4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide
CID 83092917
4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide
CID 83095376

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide?
The IUPAC name of 4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide (CID 83102235) is 4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide is NC(=O)C1COCCN1Cc1cc(N)ccc1Cl.
What is the InChIKey of 4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide?
The InChIKey is NPQKDGKHZMYKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-10-2-1-9(14)5-8(10)6-16-3-4-18-7-11(16)12(15)17/h1-2,5,11H,3-4,6-7,14H2,(H2,15,17).
What are the key properties of 4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide?
4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 83102235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).