3-chloro-5-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-propoxybenzamide

C21H25ClN2O4 — CID 9493504

IUPAC3-chloro-5-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C21H25ClN2O4/c1-5-10-28-20-17(22)11-15(12-18(20)27-4)21(26)24(3)13-19(25)23-16-8-6-14(2)7-9-16/h6-9,11-12H,5,10,13H2,1-4H3,(H,23,25)
InChIKeyYAWWUNMJOBOIPO-UHFFFAOYSA-N
MW404.89 g/mol
LogP4.16
Rot. Bonds8

About 3-chloro-5-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-propoxybenzamide

3-chloro-5-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-propoxybenzamide (PubChem CID 9493504) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-propoxybenzamide
PubChem CID9493504
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC Name3-chloro-5-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C21H25ClN2O4/c1-5-10-28-20-17(22)11-15(12-18(20)27-4)21(26)24(3)13-19(25)23-16-8-6-14(2)7-9-16/h6-9,11-12H,5,10,13H2,1-4H3,(H,23,25)
InChIKeyYAWWUNMJOBOIPO-UHFFFAOYSA-N
XLogP4.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]prop-2-enamide
CID 9493497
3-chloro-4-ethoxy-5-methoxy-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 46467277
3-bromo-5-methoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-propoxybenzamide
CID 31177545
5-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 9374583
3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
CID 112792591
3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 9439299
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 18112252
3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
CID 60526368
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 2571968
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 8510147
[2-(4-cyanoanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 7684145
[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 55311629

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-propoxybenzamide (CID 9493504) is 3-chloro-5-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1OC.
What is the InChIKey of 3-chloro-5-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-propoxybenzamide?
The InChIKey is YAWWUNMJOBOIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c1-5-10-28-20-17(22)11-15(12-18(20)27-4)21(26)24(3)13-19(25)23-16-8-6-14(2)7-9-16/h6-9,11-12H,5,10,13H2,1-4H3,(H,23,25).
What are the key properties of 3-chloro-5-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-propoxybenzamide?
3-chloro-5-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-propoxybenzamide has a molecular weight of 404.89 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-propoxybenzamide is sourced from PubChem (CID 9493504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).