3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride

C13H19BrClN3O2 — CID 119739150

IUPAC3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCCC(=O)Nc1ccc(Br)cc1.Cl
InChIInChI=1S/C13H18BrN3O2.ClH/c1-9(15)8-13(19)16-7-6-12(18)17-11-4-2-10(14)3-5-11;/h2-5,9H,6-8,15H2,1H3,(H,16,19)(H,17,18);1H
InChIKeyFXWNOTQXIHTEDD-UHFFFAOYSA-N
MW364.67 g/mol
LogP2.05
Rot. Bonds6

About 3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride

3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride (PubChem CID 119739150) has the molecular formula C13H19BrClN3O2 and a molecular weight of 364.67 g/mol. Its IUPAC name is 3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride
PubChem CID119739150
Molecular FormulaC13H19BrClN3O2
Molecular Weight364.67 g/mol
Exact Mass363.03
IUPAC Name3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCCC(=O)Nc1ccc(Br)cc1.Cl
InChIInChI=1S/C13H18BrN3O2.ClH/c1-9(15)8-13(19)16-7-6-12(18)17-11-4-2-10(14)3-5-11;/h2-5,9H,6-8,15H2,1H3,(H,16,19)(H,17,18);1H
InChIKeyFXWNOTQXIHTEDD-UHFFFAOYSA-N
XLogP2.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide
CID 119739151
3-amino-N-[2-(4-bromophenyl)ethyl]butanamide;hydrochloride
CID 119709695
N-[3-(4-bromoanilino)-3-oxopropyl]-3-(4-fluorophenyl)butanamide
CID 55952744
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125
N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide
CID 119739143
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119739124
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55796869
N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide
CID 109032040
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride
CID 119701893
4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride
CID 119714141

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride (CID 119739150) is 3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride is CC(N)CC(=O)NCCC(=O)Nc1ccc(Br)cc1.Cl.
What is the InChIKey of 3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride?
The InChIKey is FXWNOTQXIHTEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2.ClH/c1-9(15)8-13(19)16-7-6-12(18)17-11-4-2-10(14)3-5-11;/h2-5,9H,6-8,15H2,1H3,(H,16,19)(H,17,18);1H.
What are the key properties of 3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride?
3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride has a molecular weight of 364.67 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride is sourced from PubChem (CID 119739150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).