3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide

C15H20Cl2N2O2 — CID 110444164

IUPAC3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(Cl)c(Cl)c1)CN1CCOCC1
InChIInChI=1S/C15H20Cl2N2O2/c1-11(10-19-4-6-21-7-5-19)9-18-15(20)12-2-3-13(16)14(17)8-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,18,20)
InChIKeyDRNQTVXNTHFXMP-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.69
Rot. Bonds5

About 3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide

3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide (PubChem CID 110444164) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
PubChem CID110444164
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(Cl)c(Cl)c1)CN1CCOCC1
InChIInChI=1S/C15H20Cl2N2O2/c1-11(10-19-4-6-21-7-5-19)9-18-15(20)12-2-3-13(16)14(17)8-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,18,20)
InChIKeyDRNQTVXNTHFXMP-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110445678
2-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110441973
4-(dimethylamino)-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110444459
3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 107999448
4-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 81295079
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide
CID 114313406
N-(2-methyl-3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 110444324
N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 115267427
5-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)-1H-pyrazole-3-carboxamide
CID 110484319
3-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992034
2,3,4-trifluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110445750

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide (CID 110444164) is 3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide is CC(CNC(=O)c1ccc(Cl)c(Cl)c1)CN1CCOCC1.
What is the InChIKey of 3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide?
The InChIKey is DRNQTVXNTHFXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-11(10-19-4-6-21-7-5-19)9-18-15(20)12-2-3-13(16)14(17)8-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,18,20).
What are the key properties of 3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide?
3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide has a molecular weight of 331.24 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 110444164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).