2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide

C17H17BrN2O3 — CID 34875961

IUPAC2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C17H17BrN2O3/c1-2-19-16(21)11-23-13-7-5-6-12(10-13)20-17(22)14-8-3-4-9-15(14)18/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyFMUUYZWZCRRXJQ-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.22
Rot. Bonds6

About 2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide

2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide (PubChem CID 34875961) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
PubChem CID34875961
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
SMILESCCNC(=O)COc1cccc(NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C17H17BrN2O3/c1-2-19-16(21)11-23-13-7-5-6-12(10-13)20-17(22)14-8-3-4-9-15(14)18/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyFMUUYZWZCRRXJQ-UHFFFAOYSA-N
XLogP3.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 39044160
3-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-fluorobenzamide
CID 46461277
N-ethyl-2-[3-(methylamino)phenoxy]acetamide
CID 143296990
5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 39045106
5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-iodo-2-methoxybenzamide
CID 34874419
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide
CID 39043842
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide
CID 39044484
3-[2-(dimethylamino)-2-oxoethoxy]-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 55777943
2-[3-[[2-(2-tert-butylphenoxy)acetyl]amino]phenoxy]-N-ethylacetamide
CID 34870464
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(4-propanoylphenoxy)acetamide
CID 34875030
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide
CID 32937991

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide?
The IUPAC name of 2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide (CID 34875961) is 2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide is CCNC(=O)COc1cccc(NC(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide?
The InChIKey is FMUUYZWZCRRXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-2-19-16(21)11-23-13-7-5-6-12(10-13)20-17(22)14-8-3-4-9-15(14)18/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide?
2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide has a molecular weight of 377.24 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide is sourced from PubChem (CID 34875961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).