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

C14H22ClN3O2 — CID 57141488

IUPAC4-amino-5-[2-chloro-2-(diethylamino)ethyl]-2-methoxybenzamide
SMILESCCN(CC)C(Cl)Cc1cc(C(N)=O)c(OC)cc1N
InChIInChI=1S/C14H22ClN3O2/c1-4-18(5-2)13(15)7-9-6-10(14(17)19)12(20-3)8-11(9)16/h6,8,13H,4-5,7,16H2,1-3H3,(H2,17,19)
InChIKeyDSFAVSNINQURJA-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.83
Rot. Bonds7

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

4-amino-5-[2-chloro-2-(diethylamino)ethyl]-2-methoxybenzamide (PubChem CID 57141488) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-amino-5-[2-chloro-2-(diethylamino)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-[2-chloro-2-(diethylamino)ethyl]-2-methoxybenzamide
PubChem CID57141488
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name4-amino-5-[2-chloro-2-(diethylamino)ethyl]-2-methoxybenzamide
SMILESCCN(CC)C(Cl)Cc1cc(C(N)=O)c(OC)cc1N
InChIInChI=1S/C14H22ClN3O2/c1-4-18(5-2)13(15)7-9-6-10(14(17)19)12(20-3)8-11(9)16/h6,8,13H,4-5,7,16H2,1-3H3,(H2,17,19)
InChIKeyDSFAVSNINQURJA-UHFFFAOYSA-N
XLogP1.83
TPSA81.58 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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-chloro-2-(diethylamino)ethyl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-[2-chloro-2-(diethylamino)ethyl]-2-methoxybenzamide (CID 57141488) is 4-amino-5-[2-chloro-2-(diethylamino)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-[2-chloro-2-(diethylamino)ethyl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-[2-chloro-2-(diethylamino)ethyl]-2-methoxybenzamide is CCN(CC)C(Cl)Cc1cc(C(N)=O)c(OC)cc1N.
What is the InChIKey of 4-amino-5-[2-chloro-2-(diethylamino)ethyl]-2-methoxybenzamide?
The InChIKey is DSFAVSNINQURJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-4-18(5-2)13(15)7-9-6-10(14(17)19)12(20-3)8-11(9)16/h6,8,13H,4-5,7,16H2,1-3H3,(H2,17,19).
What are the key properties of 4-amino-5-[2-chloro-2-(diethylamino)ethyl]-2-methoxybenzamide?
4-amino-5-[2-chloro-2-(diethylamino)ethyl]-2-methoxybenzamide has a molecular weight of 299.80 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-chloro-2-(diethylamino)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 57141488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).