N-[1-(3,4-dichlorophenyl)propyl]-2-morpholin-4-ylacetamide

C15H20Cl2N2O2 — CID 3039075

IUPACN-[1-(3,4-dichlorophenyl)propyl]-2-morpholin-4-ylacetamide
SMILESCCC(NC(=O)CN1CCOCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O2/c1-2-14(11-3-4-12(16)13(17)9-11)18-15(20)10-19-5-7-21-8-6-19/h3-4,9,14H,2,5-8,10H2,1H3,(H,18,20)
InChIKeyGPSLPYVYJABDMU-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.89
Rot. Bonds5

About N-[1-(3,4-dichlorophenyl)propyl]-2-morpholin-4-ylacetamide

N-[1-(3,4-dichlorophenyl)propyl]-2-morpholin-4-ylacetamide (PubChem CID 3039075) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)propyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)propyl]-2-morpholin-4-ylacetamide
PubChem CID3039075
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC NameN-[1-(3,4-dichlorophenyl)propyl]-2-morpholin-4-ylacetamide
SMILESCCC(NC(=O)CN1CCOCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O2/c1-2-14(11-3-4-12(16)13(17)9-11)18-15(20)10-19-5-7-21-8-6-19/h3-4,9,14H,2,5-8,10H2,1H3,(H,18,20)
InChIKeyGPSLPYVYJABDMU-UHFFFAOYSA-N
XLogP2.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide
CID 750384
N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 6465678
N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 2854245
N-[(2S)-1-[[(1S)-1-cyano-2-(3,4-dichlorophenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 11059260
N-[1''-(3,4-Dichloro-benzyl)-[1,4'']bipiperidinyl-3-ylmethyl]-acetamide
CID 44399552
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 54767240
N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-5-oxo-4-(2-propan-2-yloxyethylamino)-2H-pyrrole-3-carboxamide
CID 90314195
N-[2-[2-[2-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 118109288
US9415055, 2,3-Dichloro-N-[(S)-2-(4-chloro-phenyl)-2-morpholin-4-yl-ethyl]benzamide
CID 73671885
2,3-Dichloro-N-[2-(4-chloro-phenyl)-2-morpholin-4-yl-ethyl]-benzamide
CID 73672826
N-[(3,4-dichlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53245045
2-(3,4-dichlorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2542286

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-2-morpholin-4-ylacetamide (CID 3039075) is N-[1-(3,4-dichlorophenyl)propyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)propyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)propyl]-2-morpholin-4-ylacetamide is CCC(NC(=O)CN1CCOCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)propyl]-2-morpholin-4-ylacetamide?
The InChIKey is GPSLPYVYJABDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-2-14(11-3-4-12(16)13(17)9-11)18-15(20)10-19-5-7-21-8-6-19/h3-4,9,14H,2,5-8,10H2,1H3,(H,18,20).
What are the key properties of N-[1-(3,4-dichlorophenyl)propyl]-2-morpholin-4-ylacetamide?
N-[1-(3,4-dichlorophenyl)propyl]-2-morpholin-4-ylacetamide has a molecular weight of 331.24 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)propyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 3039075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).