4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride

C10H13BrCl2N2O — CID 119322335

IUPAC4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride
SMILESCl.NCCCC(=O)Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H12BrClN2O.ClH/c11-8-6-7(3-4-9(8)12)14-10(15)2-1-5-13;/h3-4,6H,1-2,5,13H2,(H,14,15);1H
InChIKeyPUANJOYNZDWUFC-UHFFFAOYSA-N
MW328.04 g/mol
LogP3.20
Rot. Bonds4

About 4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride

4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride (PubChem CID 119322335) has the molecular formula C10H13BrCl2N2O and a molecular weight of 328.04 g/mol. Its IUPAC name is 4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride
PubChem CID119322335
Molecular FormulaC10H13BrCl2N2O
Molecular Weight328.04 g/mol
Exact Mass325.96
IUPAC Name4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride
SMILESCl.NCCCC(=O)Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H12BrClN2O.ClH/c11-8-6-7(3-4-9(8)12)14-10(15)2-1-5-13;/h3-4,6H,1-2,5,13H2,(H,14,15);1H
InChIKeyPUANJOYNZDWUFC-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.04
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119262031
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4-amino-N-(4-bromo-3-methylphenyl)butanamide
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5-(4-aminobutanoylamino)-2-bromobenzoic acid
CID 115296408
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide
CID 39193099
4-amino-N-(4-chloro-3-nitrophenyl)butanamide
CID 43708466
4-(4-aminobutanoylamino)-2-chloro-N-methylbenzamide
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4-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]butanamide;hydrochloride
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CID 63334946

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride (CID 119322335) is 4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride is Cl.NCCCC(=O)Nc1ccc(Cl)c(Br)c1.
What is the InChIKey of 4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride?
The InChIKey is PUANJOYNZDWUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O.ClH/c11-8-6-7(3-4-9(8)12)14-10(15)2-1-5-13;/h3-4,6H,1-2,5,13H2,(H,14,15);1H.
What are the key properties of 4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride?
4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride has a molecular weight of 328.04 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride is sourced from PubChem (CID 119322335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).