N-(2-aminoethyl)-3-(3-bromophenyl)propanamide

C11H15BrN2O — CID 94697075

IUPACN-(2-aminoethyl)-3-(3-bromophenyl)propanamide
SMILESNCCNC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O/c12-10-3-1-2-9(8-10)4-5-11(15)14-7-6-13/h1-3,8H,4-7,13H2,(H,14,15)
InChIKeyZUJHPNNUFIDRPS-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.46
Rot. Bonds5

About N-(2-aminoethyl)-3-(3-bromophenyl)propanamide

N-(2-aminoethyl)-3-(3-bromophenyl)propanamide (PubChem CID 94697075) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(3-bromophenyl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(3-bromophenyl)propanamide
PubChem CID94697075
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC NameN-(2-aminoethyl)-3-(3-bromophenyl)propanamide
SMILESNCCNC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O/c12-10-3-1-2-9(8-10)4-5-11(15)14-7-6-13/h1-3,8H,4-7,13H2,(H,14,15)
InChIKeyZUJHPNNUFIDRPS-UHFFFAOYSA-N
XLogP1.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(3-bromophenyl)ethyl]propanamide
CID 94697083
3-[3-(3-bromophenyl)propanoylamino]propanoic acid
CID 43240494
3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119502303
N-(3-aminobutyl)-3-(3-bromophenyl)propanamide
CID 119497411
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
CID 94684838
3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 127122417
N-(2-aminoethyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide
CID 119384113
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide
CID 115271382
2-[[2-[3-(3-bromophenyl)propanoylamino]acetyl]amino]acetic acid
CID 43387616
3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029524
3-(3-bromophenyl)-N-(3-butoxypropyl)propanamide
CID 127122247
3-(3-bromophenyl)propanamide
CID 20823841

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(3-bromophenyl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(3-bromophenyl)propanamide (CID 94697075) is N-(2-aminoethyl)-3-(3-bromophenyl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(3-bromophenyl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(3-bromophenyl)propanamide is NCCNC(=O)CCc1cccc(Br)c1.
What is the InChIKey of N-(2-aminoethyl)-3-(3-bromophenyl)propanamide?
The InChIKey is ZUJHPNNUFIDRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-10-3-1-2-9(8-10)4-5-11(15)14-7-6-13/h1-3,8H,4-7,13H2,(H,14,15).
What are the key properties of N-(2-aminoethyl)-3-(3-bromophenyl)propanamide?
N-(2-aminoethyl)-3-(3-bromophenyl)propanamide has a molecular weight of 271.16 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(3-bromophenyl)propanamide is sourced from PubChem (CID 94697075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).