2,5-dichloro-N-[3-(diethylamino)propyl]benzamide

C14H20Cl2N2O — CID 2165306

IUPAC2,5-dichloro-N-[3-(diethylamino)propyl]benzamide
SMILESCCN(CC)CCCNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-3-18(4-2)9-5-8-17-14(19)12-10-11(15)6-7-13(12)16/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyHJHNQAZYTCKQDT-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.46
Rot. Bonds7

About 2,5-dichloro-N-[3-(diethylamino)propyl]benzamide

2,5-dichloro-N-[3-(diethylamino)propyl]benzamide (PubChem CID 2165306) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(diethylamino)propyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(diethylamino)propyl]benzamide
PubChem CID2165306
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name2,5-dichloro-N-[3-(diethylamino)propyl]benzamide
SMILESCCN(CC)CCCNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-3-18(4-2)9-5-8-17-14(19)12-10-11(15)6-7-13(12)16/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyHJHNQAZYTCKQDT-UHFFFAOYSA-N
XLogP3.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide
CID 4632919
2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide
CID 142825813
5-chloro-N-[3-(diethylamino)propyl]-2-(methylamino)benzamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 22071680
2,5-dichloro-N-[2-(methylamino)ethyl]benzamide
CID 62659102
ethyl 4-[(2,5-dichlorobenzoyl)amino]butanoate
CID 60637290
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
CID 108573425
2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide
CID 71296271
3-(diethylamino)propyl 2,5-dichlorobenzoate
CID 3027468
3-N-(diaminomethylidene)-5-(2,5-dichlorophenyl)-1-N-[3-(diethylamino)propyl]benzene-1,3-dicarboxamide;dihydrochloride
CID 19363119
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
N-(6-bromohexyl)-5-chloro-2-methylbenzamide
CID 107847963

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(diethylamino)propyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[3-(diethylamino)propyl]benzamide (CID 2165306) is 2,5-dichloro-N-[3-(diethylamino)propyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(diethylamino)propyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[3-(diethylamino)propyl]benzamide is CCN(CC)CCCNC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-(diethylamino)propyl]benzamide?
The InChIKey is HJHNQAZYTCKQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-3-18(4-2)9-5-8-17-14(19)12-10-11(15)6-7-13(12)16/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,19).
What are the key properties of 2,5-dichloro-N-[3-(diethylamino)propyl]benzamide?
2,5-dichloro-N-[3-(diethylamino)propyl]benzamide has a molecular weight of 303.23 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(diethylamino)propyl]benzamide is sourced from PubChem (CID 2165306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).