4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide

C12H15BrClNO3 — CID 115902316

IUPAC4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCO)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H15BrClNO3/c1-18-7-5-15(4-6-16)12(17)9-2-3-10(13)11(14)8-9/h2-3,8,16H,4-7H2,1H3
InChIKeyYYGCZZSQVOVDFB-UHFFFAOYSA-N
MW336.61 g/mol
LogP2.18
Rot. Bonds6

About 4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide

4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide (PubChem CID 115902316) has the molecular formula C12H15BrClNO3 and a molecular weight of 336.61 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
PubChem CID115902316
Molecular FormulaC12H15BrClNO3
Molecular Weight336.61 g/mol
Exact Mass334.99
IUPAC Name4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCO)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H15BrClNO3/c1-18-7-5-15(4-6-16)12(17)9-2-3-10(13)11(14)8-9/h2-3,8,16H,4-7H2,1H3
InChIKeyYYGCZZSQVOVDFB-UHFFFAOYSA-N
XLogP2.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.61
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772784
3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide
CID 103841549
4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide
CID 81295569
4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide
CID 112705653
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 81308078
4-hydroxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902414
N-(2-hydroxyethyl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide
CID 115772556
N-(2-hydroxyethyl)-4-methoxy-N-(2-methoxyethyl)benzamide
CID 113339829
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide
CID 43010416
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-bromo-4-chloro-N-(2-methoxyethyl)benzamide
CID 107992488
4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide
CID 103957673

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide (CID 115902316) is 4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide is COCCN(CCO)C(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide?
The InChIKey is YYGCZZSQVOVDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO3/c1-18-7-5-15(4-6-16)12(17)9-2-3-10(13)11(14)8-9/h2-3,8,16H,4-7H2,1H3.
What are the key properties of 4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide?
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide has a molecular weight of 336.61 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 115902316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).