N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide

C14H18Cl2N2O2 — CID 14882014

IUPACN-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C14H18Cl2N2O2/c1-10(19)17-7-12-9-18(4-5-20-12)8-11-2-3-13(15)14(16)6-11/h2-3,6,12H,4-5,7-9H2,1H3,(H,17,19)
InChIKeyMWAGASVCVQLNKO-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.33
Rot. Bonds4

About N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide

N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide (PubChem CID 14882014) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide
PubChem CID14882014
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC NameN-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C14H18Cl2N2O2/c1-10(19)17-7-12-9-18(4-5-20-12)8-11-2-3-13(15)14(16)6-11/h2-3,6,12H,4-5,7-9H2,1H3,(H,17,19)
InChIKeyMWAGASVCVQLNKO-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide?
The IUPAC name of N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide (CID 14882014) is N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide is CC(=O)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1.
What is the InChIKey of N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide?
The InChIKey is MWAGASVCVQLNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-10(19)17-7-12-9-18(4-5-20-12)8-11-2-3-13(15)14(16)6-11/h2-3,6,12H,4-5,7-9H2,1H3,(H,17,19).
What are the key properties of N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide?
N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide has a molecular weight of 317.22 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 14882014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).