2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide

C18H22BrN3O — CID 120872242

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide
SMILESNCCN(CCc1ccccc1)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C18H22BrN3O/c19-16-8-4-5-9-17(16)21-18(23)14-22(13-11-20)12-10-15-6-2-1-3-7-15/h1-9H,10-14,20H2,(H,21,23)
InChIKeyMFCOKBUIWXXFIA-UHFFFAOYSA-N
MW376.30 g/mol
LogP2.89
Rot. Bonds8

About 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide

2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide (PubChem CID 120872242) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide
PubChem CID120872242
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide
SMILESNCCN(CCc1ccccc1)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C18H22BrN3O/c19-16-8-4-5-9-17(16)21-18(23)14-22(13-11-20)12-10-15-6-2-1-3-7-15/h1-9H,10-14,20H2,(H,21,23)
InChIKeyMFCOKBUIWXXFIA-UHFFFAOYSA-N
XLogP2.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)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

2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 120871923
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride
CID 120872387
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide;hydrochloride
CID 120871779
2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide
CID 120872102
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 120871653
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120872517
N-(2-bromophenyl)-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 124544246
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride
CID 120872401
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 120871651
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 120872364
2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 120871773
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 120871664

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide (CID 120872242) is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide is NCCN(CCc1ccccc1)CC(=O)Nc1ccccc1Br.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide?
The InChIKey is MFCOKBUIWXXFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O/c19-16-8-4-5-9-17(16)21-18(23)14-22(13-11-20)12-10-15-6-2-1-3-7-15/h1-9H,10-14,20H2,(H,21,23).
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide?
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide has a molecular weight of 376.30 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 120872242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).