5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide

C15H23ClN2O2 — CID 4632919

IUPAC5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide
SMILESCCN(CC)CCCNC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H23ClN2O2/c1-4-18(5-2)10-6-9-17-15(19)13-11-12(16)7-8-14(13)20-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeyZPAWVRPWQCPUKO-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.81
Rot. Bonds8

About 5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide

5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide (PubChem CID 4632919) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide
PubChem CID4632919
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide
SMILESCCN(CC)CCCNC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H23ClN2O2/c1-4-18(5-2)10-6-9-17-15(19)13-11-12(16)7-8-14(13)20-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeyZPAWVRPWQCPUKO-UHFFFAOYSA-N
XLogP2.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.81
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

2,5-dichloro-N-[3-(diethylamino)propyl]benzamide
CID 2165306
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide
CID 108572238
1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea
CID 108875528
N-[3-(diethylamino)propyl]-5-(ethylsulfamoyl)-2-methoxybenzamide
CID 19257901
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873
5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methoxybenzamide
CID 103767358
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide (CID 4632919) is 5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide is CCN(CC)CCCNC(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide?
The InChIKey is ZPAWVRPWQCPUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-4-18(5-2)10-6-9-17-15(19)13-11-12(16)7-8-14(13)20-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,19).
What are the key properties of 5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide?
5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide has a molecular weight of 298.81 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide is sourced from PubChem (CID 4632919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).