3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide

C14H18BrClN2O3 — CID 103841802

IUPAC3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H18BrClN2O3/c1-18(9-13(19)17-6-3-7-21-2)14(20)10-4-5-12(16)11(15)8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,19)
InChIKeyCQFWCMPEEWQVOD-UHFFFAOYSA-N
MW377.67 g/mol
LogP2.33
Rot. Bonds7

About 3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide

3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 103841802) has the molecular formula C14H18BrClN2O3 and a molecular weight of 377.67 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID103841802
Molecular FormulaC14H18BrClN2O3
Molecular Weight377.67 g/mol
Exact Mass376.02
IUPAC Name3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H18BrClN2O3/c1-18(9-13(19)17-6-3-7-21-2)14(20)10-4-5-12(16)11(15)8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,19)
InChIKeyCQFWCMPEEWQVOD-UHFFFAOYSA-N
XLogP2.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.67
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide 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

4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51098419
3-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 110610259
3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 51307897
3-chloro-4-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 103734742
2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307796
4-(aminomethyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 60953453
3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide
CID 103841549
5-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51307832
3-bromo-2-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 106547925
2-chloro-6-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307804
4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
CID 60707787
3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60949967

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide (CID 103841802) is 3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide is COCCCNC(=O)CN(C)C(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is CQFWCMPEEWQVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O3/c1-18(9-13(19)17-6-3-7-21-2)14(20)10-4-5-12(16)11(15)8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,19).
What are the key properties of 3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide?
3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 377.67 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 103841802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).