2-amino-N-[1-(4-bromophenyl)propyl]acetamide

C11H15BrN2O — CID 43233777

IUPAC2-amino-N-[1-(4-bromophenyl)propyl]acetamide
SMILESCCC(NC(=O)CN)c1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O/c1-2-10(14-11(15)7-13)8-3-5-9(12)6-4-8/h3-6,10H,2,7,13H2,1H3,(H,14,15)
InChIKeyXPWZICQBWAWREO-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.98
Rot. Bonds4

About 2-amino-N-[1-(4-bromophenyl)propyl]acetamide

2-amino-N-[1-(4-bromophenyl)propyl]acetamide (PubChem CID 43233777) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-amino-N-[1-(4-bromophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-bromophenyl)propyl]acetamide
PubChem CID43233777
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-amino-N-[1-(4-bromophenyl)propyl]acetamide
SMILESCCC(NC(=O)CN)c1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O/c1-2-10(14-11(15)7-13)8-3-5-9(12)6-4-8/h3-6,10H,2,7,13H2,1H3,(H,14,15)
InChIKeyXPWZICQBWAWREO-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide
CID 112723289
ethyl N-[(1S)-1-(4-bromophenyl)propyl]carbamate
CID 95358471
2-(aminomethyl)-N-[1-(4-bromophenyl)propyl]-3-methylbutanamide
CID 65224708
N-[1-(4-bromophenyl)propyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47123202
3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-bromophenyl)propyl]propanamide
CID 46418106
N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide
CID 60867633
3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
CID 107980228
N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide
CID 78914131
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide
CID 54811171
(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide
CID 8643345
5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide
CID 43011607

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-bromophenyl)propyl]acetamide?
The IUPAC name of 2-amino-N-[1-(4-bromophenyl)propyl]acetamide (CID 43233777) is 2-amino-N-[1-(4-bromophenyl)propyl]acetamide.
What is the SMILES notation for 2-amino-N-[1-(4-bromophenyl)propyl]acetamide?
The canonical SMILES for 2-amino-N-[1-(4-bromophenyl)propyl]acetamide is CCC(NC(=O)CN)c1ccc(Br)cc1.
What is the InChIKey of 2-amino-N-[1-(4-bromophenyl)propyl]acetamide?
The InChIKey is XPWZICQBWAWREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-2-10(14-11(15)7-13)8-3-5-9(12)6-4-8/h3-6,10H,2,7,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-[1-(4-bromophenyl)propyl]acetamide?
2-amino-N-[1-(4-bromophenyl)propyl]acetamide has a molecular weight of 271.16 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-bromophenyl)propyl]acetamide is sourced from PubChem (CID 43233777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).