2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide

C17H19BrN2O — CID 81313356

IUPAC2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide
SMILESCCc1cc(Br)ccc1NC(=O)Cc1ccccc1CN
InChIInChI=1S/C17H19BrN2O/c1-2-12-9-15(18)7-8-16(12)20-17(21)10-13-5-3-4-6-14(13)11-19/h3-9H,2,10-11,19H2,1H3,(H,20,21)
InChIKeyVJURRWRIJFLNQR-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.65
Rot. Bonds5

About 2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide

2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide (PubChem CID 81313356) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide
PubChem CID81313356
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide
SMILESCCc1cc(Br)ccc1NC(=O)Cc1ccccc1CN
InChIInChI=1S/C17H19BrN2O/c1-2-12-9-15(18)7-8-16(12)20-17(21)10-13-5-3-4-6-14(13)11-19/h3-9H,2,10-11,19H2,1H3,(H,20,21)
InChIKeyVJURRWRIJFLNQR-UHFFFAOYSA-N
XLogP3.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-bromo-2-ethylphenyl)acetamide;hydrochloride
CID 119291314
2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798189
N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide
CID 81289356
1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea
CID 17217802
2-[2-(aminomethyl)phenyl]-N-(2-bromo-4-fluorophenyl)acetamide
CID 81317663
N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107033074
5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide
CID 82687831
2-(2-aminophenoxy)-N-(4-bromo-2-ethylphenyl)acetamide
CID 81289571
N-(4-bromo-2-ethylphenyl)-3-phenylprop-2-ynamide
CID 81003933
N-(4-bromo-2-ethylphenyl)-2-(3-methoxyphenyl)acetamide
CID 80997985
N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide
CID 81291962
(2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride
CID 119291319

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide (CID 81313356) is 2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide is CCc1cc(Br)ccc1NC(=O)Cc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide?
The InChIKey is VJURRWRIJFLNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-2-12-9-15(18)7-8-16(12)20-17(21)10-13-5-3-4-6-14(13)11-19/h3-9H,2,10-11,19H2,1H3,(H,20,21).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide has a molecular weight of 347.26 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide is sourced from PubChem (CID 81313356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).