3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide

C19H21ClN2O4 — CID 40730715

IUPAC3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C19H21ClN2O4/c1-4-12-7-5-6-8-15(12)22-17(23)11-21-19(24)13-9-14(20)18(26-3)16(10-13)25-2/h5-10H,4,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyCZDGGAHXXAVLSS-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.29
Rot. Bonds7

About 3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide

3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide (PubChem CID 40730715) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide
PubChem CID40730715
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C19H21ClN2O4/c1-4-12-7-5-6-8-15(12)22-17(23)11-21-19(24)13-9-14(20)18(26-3)16(10-13)25-2/h5-10H,4,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyCZDGGAHXXAVLSS-UHFFFAOYSA-N
XLogP3.29
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 26707249
3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 27762230
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
N-[2-(2-ethylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 27762194
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301224
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112996998
2-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]acetamide
CID 9090821
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-ethylphenyl)acetamide
CID 109007659
3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
CID 9378681
3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide
CID 5217703
N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide
CID 27762262
N-[2-(2-ethylanilino)-2-oxoethyl]-6-methoxypyridine-3-carboxamide
CID 24531875

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide?
The IUPAC name of 3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide (CID 40730715) is 3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide.
What is the SMILES notation for 3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide?
The canonical SMILES for 3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide is CCc1ccccc1NC(=O)CNC(=O)c1cc(Cl)c(OC)c(OC)c1.
What is the InChIKey of 3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide?
The InChIKey is CZDGGAHXXAVLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-4-12-7-5-6-8-15(12)22-17(23)11-21-19(24)13-9-14(20)18(26-3)16(10-13)25-2/h5-10H,4,11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide?
3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide has a molecular weight of 376.84 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide is sourced from PubChem (CID 40730715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).