N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-ethoxy-3-methylbenzamide

C20H23ClN2O3 — CID 86938507

IUPACN-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)NCCC(=O)Nc2cccc(Cl)c2C)cc1C
InChIInChI=1S/C20H23ClN2O3/c1-4-26-18-9-8-15(12-13(18)2)20(25)22-11-10-19(24)23-17-7-5-6-16(21)14(17)3/h5-9,12H,4,10-11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyMLOFVVWOZUUWDW-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.11
Rot. Bonds7

About N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-ethoxy-3-methylbenzamide

N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-ethoxy-3-methylbenzamide (PubChem CID 86938507) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-ethoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-ethoxy-3-methylbenzamide
PubChem CID86938507
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)NCCC(=O)Nc2cccc(Cl)c2C)cc1C
InChIInChI=1S/C20H23ClN2O3/c1-4-26-18-9-8-15(12-13(18)2)20(25)22-11-10-19(24)23-17-7-5-6-16(21)14(17)3/h5-9,12H,4,10-11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyMLOFVVWOZUUWDW-UHFFFAOYSA-N
XLogP4.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide
CID 886779
N-(2,6-dichlorophenyl)-4-ethoxy-3-methylbenzamide
CID 30147579
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102
N-(3-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955086
N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide
CID 110762173
N-(3-chloro-2-methylphenyl)-4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4948709
4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 17353033
N-(3-chloro-2-methylphenyl)-2-(2-ethoxyanilino)acetamide
CID 9101959
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-butoxy-3-ethoxybenzoate
CID 7904220
N-(3-chloro-2-methylphenyl)-2-[2-ethoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 126252032
3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide
CID 4557659

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-ethoxy-3-methylbenzamide?
The IUPAC name of N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-ethoxy-3-methylbenzamide (CID 86938507) is N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-ethoxy-3-methylbenzamide.
What is the SMILES notation for N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-ethoxy-3-methylbenzamide?
The canonical SMILES for N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-ethoxy-3-methylbenzamide is CCOc1ccc(C(=O)NCCC(=O)Nc2cccc(Cl)c2C)cc1C.
What is the InChIKey of N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-ethoxy-3-methylbenzamide?
The InChIKey is MLOFVVWOZUUWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-4-26-18-9-8-15(12-13(18)2)20(25)22-11-10-19(24)23-17-7-5-6-16(21)14(17)3/h5-9,12H,4,10-11H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-ethoxy-3-methylbenzamide?
N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-ethoxy-3-methylbenzamide has a molecular weight of 374.87 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-ethoxy-3-methylbenzamide is sourced from PubChem (CID 86938507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).