2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide

C13H16BrClN2O3 — CID 103764472

IUPAC2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
SMILESCOCCNC(=O)CCNC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H16BrClN2O3/c1-20-7-6-16-12(18)4-5-17-13(19)10-3-2-9(15)8-11(10)14/h2-3,8H,4-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyULNJKJGAUUMAQB-UHFFFAOYSA-N
MW363.64 g/mol
LogP1.99
Rot. Bonds7

About 2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide

2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide (PubChem CID 103764472) has the molecular formula C13H16BrClN2O3 and a molecular weight of 363.64 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
PubChem CID103764472
Molecular FormulaC13H16BrClN2O3
Molecular Weight363.64 g/mol
Exact Mass362.00
IUPAC Name2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
SMILESCOCCNC(=O)CCNC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H16BrClN2O3/c1-20-7-6-16-12(18)4-5-17-13(19)10-3-2-9(15)8-11(10)14/h2-3,8H,4-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyULNJKJGAUUMAQB-UHFFFAOYSA-N
XLogP1.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.64
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 103763962
2-bromo-4-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 113257280
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
2-bromo-N-(3-bromo-4-methoxybutyl)-4-chlorobenzamide
CID 106245083
methyl 5-[(2-bromo-4-chlorobenzoyl)amino]pentanoate
CID 91659527
4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 115738491
2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 34673873
methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-2-iodopropanoate
CID 107994403
2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide
CID 107988215
2-bromo-4-chloro-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107990240
5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide
CID 102705898
4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115577293

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide?
The IUPAC name of 2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide (CID 103764472) is 2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide is COCCNC(=O)CCNC(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide?
The InChIKey is ULNJKJGAUUMAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O3/c1-20-7-6-16-12(18)4-5-17-13(19)10-3-2-9(15)8-11(10)14/h2-3,8H,4-7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide?
2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide has a molecular weight of 363.64 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 103764472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).