2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide

C11H14BrN3O2 — CID 61401625

IUPAC2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C11H14BrN3O2/c12-9-3-1-2-8(4-9)6-14-11(17)7-15-10(16)5-13/h1-4H,5-7,13H2,(H,14,17)(H,15,16)
InChIKeyAQFZLMPSBVAIGI-UHFFFAOYSA-N
MW300.16 g/mol
LogP0.14
Rot. Bonds5

About 2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide

2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide (PubChem CID 61401625) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide
PubChem CID61401625
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C11H14BrN3O2/c12-9-3-1-2-8(4-9)6-14-11(17)7-15-10(16)5-13/h1-4H,5-7,13H2,(H,14,17)(H,15,16)
InChIKeyAQFZLMPSBVAIGI-UHFFFAOYSA-N
XLogP0.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-2-chloroacetamide
CID 56923497
2-(3-bromophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide
CID 112993174
N-[(3-bromophenyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79287243
methyl 3-[(3-bromophenyl)methylamino]-3-oxopropanoate
CID 115174358
3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide
CID 64678020
N-[(3-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78916794
2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 60601838
N-[(3-bromophenyl)methyl]-5-hydroxypentanamide
CID 79209822
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
2-[(3-bromophenyl)methylcarbamoylamino]acetic acid
CID 16781261
3-(7-bromo-1H-indol-3-yl)-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]propanamide
CID 102122525
(2R)-2-amino-N-[(3-bromophenyl)methyl]-3-hydroxypropanamide;hydrochloride
CID 142480144

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide (CID 61401625) is 2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide is NCC(=O)NCC(=O)NCc1cccc(Br)c1.
What is the InChIKey of 2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide?
The InChIKey is AQFZLMPSBVAIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c12-9-3-1-2-8(4-9)6-14-11(17)7-15-10(16)5-13/h1-4H,5-7,13H2,(H,14,17)(H,15,16).
What are the key properties of 2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide?
2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide has a molecular weight of 300.16 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 61401625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).