2-(2-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]morpholine-4-carboxamide

C22H27ClN4O3 — CID 86889836

IUPAC2-(2-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]morpholine-4-carboxamide
SMILESCN(C)CC(=O)Nc1cccc(CNC(=O)N2CCOC(c3ccccc3Cl)C2)c1
InChIInChI=1S/C22H27ClN4O3/c1-26(2)15-21(28)25-17-7-5-6-16(12-17)13-24-22(29)27-10-11-30-20(14-27)18-8-3-4-9-19(18)23/h3-9,12,20H,10-11,13-15H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyAVADBZDFOGJCGR-UHFFFAOYSA-N
MW430.94 g/mol
LogP3.12
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]morpholine-4-carboxamide

2-(2-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]morpholine-4-carboxamide (PubChem CID 86889836) has the molecular formula C22H27ClN4O3 and a molecular weight of 430.94 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]morpholine-4-carboxamide
PubChem CID86889836
Molecular FormulaC22H27ClN4O3
Molecular Weight430.94 g/mol
Exact Mass430.18
IUPAC Name2-(2-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]morpholine-4-carboxamide
SMILESCN(C)CC(=O)Nc1cccc(CNC(=O)N2CCOC(c3ccccc3Cl)C2)c1
InChIInChI=1S/C22H27ClN4O3/c1-26(2)15-21(28)25-17-7-5-6-16(12-17)13-24-22(29)27-10-11-30-20(14-27)18-8-3-4-9-19(18)23/h3-9,12,20H,10-11,13-15H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyAVADBZDFOGJCGR-UHFFFAOYSA-N
XLogP3.12
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]morpholine-4-carboxamide
CID 86902376
2-(2-chlorophenyl)-N-(2-methylpropyl)morpholine-4-carboxamide
CID 110609422
(2S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboxamide
CID 95934151
(2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 95326549
2-(dimethylamino)-N-[3-[[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 111210574
N-[3-[[[C-(3-benzylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]phenyl]-2-(dimethylamino)acetamide;hydroiodide
CID 111725346
2-(2-chlorophenyl)-N-(piperidin-4-ylmethyl)morpholine-4-carboxamide
CID 166237814
1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one
CID 110326823
N-[3-[[[C-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]phenyl]-2-(dimethylamino)acetamide
CID 111186647
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
2-chloro-N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55797348
2-(dimethylamino)-N-[3-[[[C-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 111737130

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]morpholine-4-carboxamide (CID 86889836) is 2-(2-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]morpholine-4-carboxamide is CN(C)CC(=O)Nc1cccc(CNC(=O)N2CCOC(c3ccccc3Cl)C2)c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is AVADBZDFOGJCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O3/c1-26(2)15-21(28)25-17-7-5-6-16(12-17)13-24-22(29)27-10-11-30-20(14-27)18-8-3-4-9-19(18)23/h3-9,12,20H,10-11,13-15H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of 2-(2-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]morpholine-4-carboxamide?
2-(2-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 430.94 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 86889836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).