2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide

C18H20BrClN2O2 — CID 78849646

IUPAC2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(C(CNC(=O)c2cc(Cl)ccc2Br)N(C)C)c1
InChIInChI=1S/C18H20BrClN2O2/c1-22(2)17(12-5-4-6-14(9-12)24-3)11-21-18(23)15-10-13(20)7-8-16(15)19/h4-10,17H,11H2,1-3H3,(H,21,23)
InChIKeyPVRGFINOCKLBNV-UHFFFAOYSA-N
MW411.73 g/mol
LogP4.14
Rot. Bonds6

About 2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide

2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 78849646) has the molecular formula C18H20BrClN2O2 and a molecular weight of 411.73 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
PubChem CID78849646
Molecular FormulaC18H20BrClN2O2
Molecular Weight411.73 g/mol
Exact Mass410.04
IUPAC Name2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(C(CNC(=O)c2cc(Cl)ccc2Br)N(C)C)c1
InChIInChI=1S/C18H20BrClN2O2/c1-22(2)17(12-5-4-6-14(9-12)24-3)11-21-18(23)15-10-13(20)7-8-16(15)19/h4-10,17H,11H2,1-3H3,(H,21,23)
InChIKeyPVRGFINOCKLBNV-UHFFFAOYSA-N
XLogP4.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.73
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]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

2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 8795965
5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-nitrobenzamide
CID 112764505
2-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 45001535
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
CID 55337121
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide
CID 45001541
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 51150957
1-(3-chlorophenyl)-3-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 41318353
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-5-methylbenzamide
CID 51186736
1-(5-chloro-2-methoxyphenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 55697126
2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796116
5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 9267207

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide (CID 78849646) is 2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide is COc1cccc(C(CNC(=O)c2cc(Cl)ccc2Br)N(C)C)c1.
What is the InChIKey of 2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is PVRGFINOCKLBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O2/c1-22(2)17(12-5-4-6-14(9-12)24-3)11-21-18(23)15-10-13(20)7-8-16(15)19/h4-10,17H,11H2,1-3H3,(H,21,23).
What are the key properties of 2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide?
2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 411.73 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 78849646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).