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

C14H18Cl2N2O2 — CID 3328171

IUPAC3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O2/c15-12-3-2-11(10-13(12)16)14(19)17-4-1-5-18-6-8-20-9-7-18/h2-3,10H,1,4-9H2,(H,17,19)
InChIKeyYEMRQJBCPLULKE-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.45
Rot. Bonds5

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

3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 3328171) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID3328171
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O2/c15-12-3-2-11(10-13(12)16)14(19)17-4-1-5-18-6-8-20-9-7-18/h2-3,10H,1,4-9H2,(H,17,19)
InChIKeyYEMRQJBCPLULKE-UHFFFAOYSA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 100744644
3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide
CID 42273536
3,4-dichloro-N-[2-[[N-ethyl-N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]benzamide
CID 110971701
2-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-5-carboxamide
CID 100786873
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide (CID 3328171) is 3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide is O=C(NCCCN1CCOCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is YEMRQJBCPLULKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c15-12-3-2-11(10-13(12)16)14(19)17-4-1-5-18-6-8-20-9-7-18/h2-3,10H,1,4-9H2,(H,17,19).
What are the key properties of 3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide?
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 317.22 g/mol, XLogP of 2.45, 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-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 3328171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).