N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide

C12H17BrN2O — CID 119740640

IUPACN-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)NC(C)Cc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-9(15-12(16)8-14-2)6-10-4-3-5-11(13)7-10/h3-5,7,9,14H,6,8H2,1-2H3,(H,15,16)
InChIKeyPRNOAFNBTSGJLH-UHFFFAOYSA-N
MW285.19 g/mol
LogP1.72
Rot. Bonds5

About N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide

N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide (PubChem CID 119740640) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide
PubChem CID119740640
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)NC(C)Cc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-9(15-12(16)8-14-2)6-10-4-3-5-11(13)7-10/h3-5,7,9,14H,6,8H2,1-2H3,(H,15,16)
InChIKeyPRNOAFNBTSGJLH-UHFFFAOYSA-N
XLogP1.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)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

methyl N-[3-[[(2S)-1-(3-bromophenyl)propan-2-yl]amino]-3-oxopropyl]carbamate
CID 97087783
N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide
CID 104873054
2-(3-bromophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 100699011
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromophenyl)propan-2-yl]acetamide
CID 119740648
1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119298802
4-(3-bromophenyl)-3-methylbutanoic acid
CID 67126232
2-[1-(3-bromophenyl)propan-2-ylamino]propane-1,3-diol
CID 115724199
N-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide
CID 125472845
2-amino-N-[1-(3-bromophenyl)propan-2-yl]-4-methylsulfonylbutanamide
CID 119956822
N-[1-(3-bromophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide
CID 119740642
5-[[2-(3-bromophenyl)acetyl]amino]hexanoic acid
CID 82854620
1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine
CID 169435063

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide?
The IUPAC name of N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide (CID 119740640) is N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide?
The canonical SMILES for N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide is CNCC(=O)NC(C)Cc1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide?
The InChIKey is PRNOAFNBTSGJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9(15-12(16)8-14-2)6-10-4-3-5-11(13)7-10/h3-5,7,9,14H,6,8H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide?
N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide has a molecular weight of 285.19 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide is sourced from PubChem (CID 119740640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).