2-[(3-bromophenyl)methyl-propan-2-ylamino]acetamide

C12H17BrN2O — CID 56810079

IUPAC2-[(3-bromophenyl)methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)Cc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-9(2)15(8-12(14)16)7-10-4-3-5-11(13)6-10/h3-6,9H,7-8H2,1-2H3,(H2,14,16)
InChIKeyPOFHXHYNDRQVAV-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.14
Rot. Bonds5

About 2-[(3-bromophenyl)methyl-propan-2-ylamino]acetamide

2-[(3-bromophenyl)methyl-propan-2-ylamino]acetamide (PubChem CID 56810079) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-propan-2-ylamino]acetamide
PubChem CID56810079
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-[(3-bromophenyl)methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)Cc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-9(2)15(8-12(14)16)7-10-4-3-5-11(13)6-10/h3-6,9H,7-8H2,1-2H3,(H2,14,16)
InChIKeyPOFHXHYNDRQVAV-UHFFFAOYSA-N
XLogP2.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-2-chlorophenyl)methyl-propan-2-ylamino]acetamide
CID 48935476
2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56810268
2-(3-bromophenyl)acetamide
CID 11736027
2-[(3-methylphenyl)methyl-propan-2-ylamino]acetic acid
CID 39244683
2-[[2-amino-1-(3-bromophenyl)ethyl]-(2-methylpropyl)amino]acetamide
CID 55018046
3-(3-bromophenyl)propanamide;ethane
CID 91218964
2-[(2-hydroxy-3-methylphenyl)methyl-propan-2-ylamino]acetamide
CID 112553358
3-[(3-bromophenyl)methyl-methylamino]butanoic acid
CID 61416059
2-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]butanamide
CID 62899868
3-amino-N-[(3-bromophenyl)methyl]-N-ethylbutanamide
CID 119722122
3-(3-bromophenyl)propanamide
CID 20823841
1-[(3-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416066

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(3-bromophenyl)methyl-propan-2-ylamino]acetamide (CID 56810079) is 2-[(3-bromophenyl)methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(3-bromophenyl)methyl-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl-propan-2-ylamino]acetamide?
The InChIKey is POFHXHYNDRQVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9(2)15(8-12(14)16)7-10-4-3-5-11(13)6-10/h3-6,9H,7-8H2,1-2H3,(H2,14,16).
What are the key properties of 2-[(3-bromophenyl)methyl-propan-2-ylamino]acetamide?
2-[(3-bromophenyl)methyl-propan-2-ylamino]acetamide has a molecular weight of 285.19 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 56810079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).