3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide

C14H19BrN2O3 — CID 61040728

IUPAC3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)NC)C(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H19BrN2O3/c1-4-7-17(9-13(18)16-2)14(19)10-5-6-12(20-3)11(15)8-10/h5-6,8H,4,7,9H2,1-3H3,(H,16,18)
InChIKeyXRNXJMHZBYSKNX-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.06
Rot. Bonds6

About 3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide

3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide (PubChem CID 61040728) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
PubChem CID61040728
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)NC)C(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H19BrN2O3/c1-4-7-17(9-13(18)16-2)14(19)10-5-6-12(20-3)11(15)8-10/h5-6,8H,4,7,9H2,1-3H3,(H,16,18)
InChIKeyXRNXJMHZBYSKNX-UHFFFAOYSA-N
XLogP2.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide 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

3-bromo-N-ethyl-4-methoxy-N-propylbenzamide
CID 60738275
3-bromo-4-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773146
3-bromo-N-butyl-N-ethyl-4-methoxybenzamide
CID 60667723
2-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680952
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614789
3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 103735187
4-(3-bromo-4-methoxyphenyl)-N-methyl-4-oxobutanamide
CID 94311085
2,4-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 103882596
3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61025267
3-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 86906434
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
methyl 2-[(4-amino-3-methoxybenzoyl)-propylamino]acetate
CID 104782582

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
The IUPAC name of 3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide (CID 61040728) is 3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)NC)C(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
The InChIKey is XRNXJMHZBYSKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-4-7-17(9-13(18)16-2)14(19)10-5-6-12(20-3)11(15)8-10/h5-6,8H,4,7,9H2,1-3H3,(H,16,18).
What are the key properties of 3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide has a molecular weight of 343.22 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 61040728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).