N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide

C16H17BrN2O3 — CID 109009599

IUPACN-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccccc2Br)cc1OC
InChIInChI=1S/C16H17BrN2O3/c1-21-14-8-7-11(9-15(14)22-2)18-10-16(20)19-13-6-4-3-5-12(13)17/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyHIHZGLNJGYAEBN-UHFFFAOYSA-N
MW365.23 g/mol
LogP3.52
Rot. Bonds6

About N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide

N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide (PubChem CID 109009599) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide
PubChem CID109009599
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC NameN-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccccc2Br)cc1OC
InChIInChI=1S/C16H17BrN2O3/c1-21-14-8-7-11(9-15(14)22-2)18-10-16(20)19-13-6-4-3-5-12(13)17/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyHIHZGLNJGYAEBN-UHFFFAOYSA-N
XLogP3.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide 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-(2-bromo-4-methylphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009601
N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide
CID 28585942
2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 9099476
2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099482
2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9080374
N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide
CID 109008293
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide
CID 54842256
N-(3,4-dimethoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 9082418
N-(2-bromo-4-methylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109040606
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009580
2-(3-bromo-4-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 109008943

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide (CID 109009599) is N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide is COc1ccc(NCC(=O)Nc2ccccc2Br)cc1OC.
What is the InChIKey of N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide?
The InChIKey is HIHZGLNJGYAEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-21-14-8-7-11(9-15(14)22-2)18-10-16(20)19-13-6-4-3-5-12(13)17/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide?
N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide has a molecular weight of 365.23 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide is sourced from PubChem (CID 109009599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).