2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide

C18H17BrN2O3 — CID 46663703

IUPAC2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide
SMILESO=C(COc1ccccc1C(=O)NC1CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H17BrN2O3/c19-12-5-7-13(8-6-12)20-17(22)11-24-16-4-2-1-3-15(16)18(23)21-14-9-10-14/h1-8,14H,9-11H2,(H,20,22)(H,21,23)
InChIKeySMWGNNFIHGYYHN-UHFFFAOYSA-N
MW389.25 g/mol
LogP3.36
Rot. Bonds6

About 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide

2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide (PubChem CID 46663703) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide
PubChem CID46663703
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide
SMILESO=C(COc1ccccc1C(=O)NC1CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H17BrN2O3/c19-12-5-7-13(8-6-12)20-17(22)11-24-16-4-2-1-3-15(16)18(23)21-14-9-10-14/h1-8,14H,9-11H2,(H,20,22)(H,21,23)
InChIKeySMWGNNFIHGYYHN-UHFFFAOYSA-N
XLogP3.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(1-propylpiperidin-4-yl)benzamide
CID 55387259
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 46937197
N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide
CID 30156322
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 52897026
N-cyclopropyl-4-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 24587088
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide
CID 112759231
N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26913940
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide
CID 46937202
N-(4-bromophenyl)-2-[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenoxy]acetamide
CID 112771544
2-[2-(cyclohexylcarbamoylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7980853
N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide
CID 7128222
ethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]piperidine-4-carboxylate
CID 35512538

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide?
The IUPAC name of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide (CID 46663703) is 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide is O=C(COc1ccccc1C(=O)NC1CC1)Nc1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide?
The InChIKey is SMWGNNFIHGYYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c19-12-5-7-13(8-6-12)20-17(22)11-24-16-4-2-1-3-15(16)18(23)21-14-9-10-14/h1-8,14H,9-11H2,(H,20,22)(H,21,23).
What are the key properties of 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide?
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide has a molecular weight of 389.25 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromoanilino)-2-oxoethoxy]-N-cyclopropylbenzamide is sourced from PubChem (CID 46663703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).