N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide

C19H21BrN2O4 — CID 4882260

IUPACN-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide
SMILESCCN(CC(=O)Nc1ccc(Br)cc1)C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C19H21BrN2O4/c1-4-22(12-18(23)21-15-7-5-14(20)6-8-15)19(24)13-9-16(25-2)11-17(10-13)26-3/h5-11H,4,12H2,1-3H3,(H,21,23)
InChIKeyUYMNYWBKFDKFCU-UHFFFAOYSA-N
MW421.29 g/mol
LogP3.57
Rot. Bonds7

About N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide

N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide (PubChem CID 4882260) has the molecular formula C19H21BrN2O4 and a molecular weight of 421.29 g/mol. Its IUPAC name is N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide
PubChem CID4882260
Molecular FormulaC19H21BrN2O4
Molecular Weight421.29 g/mol
Exact Mass420.07
IUPAC NameN-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide
SMILESCCN(CC(=O)Nc1ccc(Br)cc1)C(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C19H21BrN2O4/c1-4-22(12-18(23)21-15-7-5-14(20)6-8-15)19(24)13-9-16(25-2)11-17(10-13)26-3/h5-11H,4,12H2,1-3H3,(H,21,23)
InChIKeyUYMNYWBKFDKFCU-UHFFFAOYSA-N
XLogP3.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
CID 9094853
N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide
CID 9094852
4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 7958626
4-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
CID 25161545
4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834198
N-[(E)-[4-(4-bromoanilino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 5342164
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylbenzamide
CID 18077820
4-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide
CID 34542934
N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2453325
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324
3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055871

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide (CID 4882260) is N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide is CCN(CC(=O)Nc1ccc(Br)cc1)C(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide?
The InChIKey is UYMNYWBKFDKFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4/c1-4-22(12-18(23)21-15-7-5-14(20)6-8-15)19(24)13-9-16(25-2)11-17(10-13)26-3/h5-11H,4,12H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide?
N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide has a molecular weight of 421.29 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide is sourced from PubChem (CID 4882260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).