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

C19H21BrN2O4 — CID 26707249

IUPAC4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C19H21BrN2O4/c1-4-12-7-5-6-8-14(12)22-17(23)11-21-19(24)13-9-15(25-2)18(20)16(10-13)26-3/h5-10H,4,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyDUVNXCNKENTCET-UHFFFAOYSA-N
MW421.29 g/mol
LogP3.40
Rot. Bonds7

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

4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide (PubChem CID 26707249) has the molecular formula C19H21BrN2O4 and a molecular weight of 421.29 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
PubChem CID26707249
Molecular FormulaC19H21BrN2O4
Molecular Weight421.29 g/mol
Exact Mass420.07
IUPAC Name4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C19H21BrN2O4/c1-4-12-7-5-6-8-14(12)22-17(23)11-21-19(24)13-9-15(25-2)18(20)16(10-13)26-3/h5-10H,4,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyDUVNXCNKENTCET-UHFFFAOYSA-N
XLogP3.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide
CID 40730715
N-[2-(2-ethylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 27762194
3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 27762230
N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide
CID 27762262
N-[2-(2-ethylanilino)-2-oxoethyl]-6-methoxypyridine-3-carboxamide
CID 24531875
N-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide
CID 9089623
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
methyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate
CID 8807995
4-ethyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26678506
2-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]acetamide
CID 9090821
N-[2-(2-ethylanilino)-2-oxoethyl]naphthalene-2-carboxamide
CID 8699030
N-[2-(2-bromoanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24681669

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide (CID 26707249) is 4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide is CCc1ccccc1NC(=O)CNC(=O)c1cc(OC)c(Br)c(OC)c1.
What is the InChIKey of 4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide?
The InChIKey is DUVNXCNKENTCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4/c1-4-12-7-5-6-8-14(12)22-17(23)11-21-19(24)13-9-15(25-2)18(20)16(10-13)26-3/h5-10H,4,11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide?
4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide has a molecular weight of 421.29 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 26707249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).