4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide

C14H22ClN3O2 — CID 4168

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IUPAC4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
SMILESCCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
InChIInChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
InChIKeyTTWJBBZEZQICBI-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.00
Rot. Bonds7

About 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide

4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide (PubChem CID 4168) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
PubChem CID4168
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
SMILESCCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
InChIInChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
InChIKeyTTWJBBZEZQICBI-UHFFFAOYSA-N
XLogP2.00
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Cisapride
CID 6917698
Prucalopride
CID 3052762
Nemonapride
CID 156333
Clebopride
CID 2780
metoclopramide hydrochloride anhydrous
CID 23659
Mosapride
CID 119584
Cisapride (USP/INN)
CID 2769
Metoclopramide Hydrochloride
CID 441347
Zacopride
CID 108182
Norcisapride
CID 3019427
Cisapride monohydrate
CID 6917697
SC 53116
CID 132337

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide (CID 4168) is 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide is CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.
What is the InChIKey of 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide?
The InChIKey is TTWJBBZEZQICBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide?
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide has a molecular weight of 299.80 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 4168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).