N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide

C18H19ClN2O3 — CID 4826876

IUPACN-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-24-16-5-3-2-4-15(16)18(23)21-12-17(22)20-11-10-13-6-8-14(19)9-7-13/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyCQBCAGUCCJJWHC-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.44
Rot. Bonds7

About N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide

N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide (PubChem CID 4826876) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide
PubChem CID4826876
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-24-16-5-3-2-4-15(16)18(23)21-12-17(22)20-11-10-13-6-8-14(19)9-7-13/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyCQBCAGUCCJJWHC-UHFFFAOYSA-N
XLogP2.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide (CID 4826876) is N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide?
The InChIKey is CQBCAGUCCJJWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-24-16-5-3-2-4-15(16)18(23)21-12-17(22)20-11-10-13-6-8-14(19)9-7-13/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide?
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide has a molecular weight of 346.81 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2-methoxybenzamide is sourced from PubChem (CID 4826876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).