3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide

C13H17BrClNO3 — CID 103841549

IUPAC3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H17BrClNO3/c1-18-7-5-16(6-8-19-2)13(17)10-3-4-12(15)11(14)9-10/h3-4,9H,5-8H2,1-2H3
InChIKeyVTNZVMKLMGTWKG-UHFFFAOYSA-N
MW350.64 g/mol
LogP2.84
Rot. Bonds7

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

3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide (PubChem CID 103841549) has the molecular formula C13H17BrClNO3 and a molecular weight of 350.64 g/mol. Its IUPAC name is 3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide
PubChem CID103841549
Molecular FormulaC13H17BrClNO3
Molecular Weight350.64 g/mol
Exact Mass349.01
IUPAC Name3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H17BrClNO3/c1-18-7-5-16(6-8-19-2)13(17)10-3-4-12(15)11(14)9-10/h3-4,9H,5-8H2,1-2H3
InChIKeyVTNZVMKLMGTWKG-UHFFFAOYSA-N
XLogP2.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.64
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-bromo-4-chloro-N-(2-methoxyethyl)benzamide
CID 107992488
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902316
3-bromo-4-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 103841754
3,4-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772784
4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide
CID 112705653
4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide
CID 107994173
3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61025267
3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 103849938
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103853206
3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide
CID 107999335
3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 103841773
4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide
CID 43010416

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide (CID 103841549) is 3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide is COCCN(CCOC)C(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide?
The InChIKey is VTNZVMKLMGTWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO3/c1-18-7-5-16(6-8-19-2)13(17)10-3-4-12(15)11(14)9-10/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide?
3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide has a molecular weight of 350.64 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide is sourced from PubChem (CID 103841549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).