3,4-dichloro-N-[morpholin-4-yl-(2-propan-2-ylidenehydrazinyl)phosphoryl]aniline

C13H19Cl2N4O2P — CID 13381611

IUPAC3,4-dichloro-N-[morpholin-4-yl-(2-propan-2-ylidenehydrazinyl)phosphoryl]aniline
SMILESCC(C)=NNP(=O)(Nc1ccc(Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C13H19Cl2N4O2P/c1-10(2)16-18-22(20,19-5-7-21-8-6-19)17-11-3-4-12(14)13(15)9-11/h3-4,9H,5-8H2,1-2H3,(H2,17,18,20)
InChIKeyINXOMVLSECICLZ-UHFFFAOYSA-N
MW365.20 g/mol
LogP3.83
Rot. Bonds5

About 3,4-dichloro-N-[morpholin-4-yl-(2-propan-2-ylidenehydrazinyl)phosphoryl]aniline

3,4-dichloro-N-[morpholin-4-yl-(2-propan-2-ylidenehydrazinyl)phosphoryl]aniline (PubChem CID 13381611) has the molecular formula C13H19Cl2N4O2P and a molecular weight of 365.20 g/mol. Its IUPAC name is 3,4-dichloro-N-[morpholin-4-yl-(2-propan-2-ylidenehydrazinyl)phosphoryl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[morpholin-4-yl-(2-propan-2-ylidenehydrazinyl)phosphoryl]aniline
PubChem CID13381611
Molecular FormulaC13H19Cl2N4O2P
Molecular Weight365.20 g/mol
Exact Mass364.06
IUPAC Name3,4-dichloro-N-[morpholin-4-yl-(2-propan-2-ylidenehydrazinyl)phosphoryl]aniline
SMILESCC(C)=NNP(=O)(Nc1ccc(Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C13H19Cl2N4O2P/c1-10(2)16-18-22(20,19-5-7-21-8-6-19)17-11-3-4-12(14)13(15)9-11/h3-4,9H,5-8H2,1-2H3,(H2,17,18,20)
InChIKeyINXOMVLSECICLZ-UHFFFAOYSA-N
XLogP3.83
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3,4-dichloro-N-[morpholin-4-yl-(2-propan-2-ylidenehydrazinyl)phosphoryl]aniline 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

N-dimorpholin-4-ylphosphoryl-4-methylaniline
CID 139064039
N-(3,4-dichlorophenyl)morpholine-4-carbothioamide
CID 773259
N-(3,4-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365492
5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 3540597
N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 6456922
N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxamide
CID 134086769
1-(3,4-dichlorophenyl)-3-[2-[(3,4-dichlorophenyl)carbamoylamino]-4-morpholin-4-ylsulfonylphenyl]urea
CID 3541124
2,5-dichloro-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 6249278
N-[1-(2,5-dichlorophenyl)ethylideneamino]-3-morpholin-4-ylsulfonylaniline
CID 174945820
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 34442516
N-(3,4-dichlorophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 78835221

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[morpholin-4-yl-(2-propan-2-ylidenehydrazinyl)phosphoryl]aniline?
The IUPAC name of 3,4-dichloro-N-[morpholin-4-yl-(2-propan-2-ylidenehydrazinyl)phosphoryl]aniline (CID 13381611) is 3,4-dichloro-N-[morpholin-4-yl-(2-propan-2-ylidenehydrazinyl)phosphoryl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[morpholin-4-yl-(2-propan-2-ylidenehydrazinyl)phosphoryl]aniline?
The canonical SMILES for 3,4-dichloro-N-[morpholin-4-yl-(2-propan-2-ylidenehydrazinyl)phosphoryl]aniline is CC(C)=NNP(=O)(Nc1ccc(Cl)c(Cl)c1)N1CCOCC1.
What is the InChIKey of 3,4-dichloro-N-[morpholin-4-yl-(2-propan-2-ylidenehydrazinyl)phosphoryl]aniline?
The InChIKey is INXOMVLSECICLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N4O2P/c1-10(2)16-18-22(20,19-5-7-21-8-6-19)17-11-3-4-12(14)13(15)9-11/h3-4,9H,5-8H2,1-2H3,(H2,17,18,20).
What are the key properties of 3,4-dichloro-N-[morpholin-4-yl-(2-propan-2-ylidenehydrazinyl)phosphoryl]aniline?
3,4-dichloro-N-[morpholin-4-yl-(2-propan-2-ylidenehydrazinyl)phosphoryl]aniline has a molecular weight of 365.20 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[morpholin-4-yl-(2-propan-2-ylidenehydrazinyl)phosphoryl]aniline is sourced from PubChem (CID 13381611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).