4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride

C10H13Cl3N2O — CID 119262031

IUPAC4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride
SMILESCl.NCCCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2N2O.ClH/c11-8-4-3-7(6-9(8)12)14-10(15)2-1-5-13;/h3-4,6H,1-2,5,13H2,(H,14,15);1H
InChIKeyREHFADKVOBLJEU-UHFFFAOYSA-N
MW283.59 g/mol
LogP3.09
Rot. Bonds4

About 4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride

4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride (PubChem CID 119262031) has the molecular formula C10H13Cl3N2O and a molecular weight of 283.59 g/mol. Its IUPAC name is 4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride
PubChem CID119262031
Molecular FormulaC10H13Cl3N2O
Molecular Weight283.59 g/mol
Exact Mass282.01
IUPAC Name4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride
SMILESCl.NCCCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2N2O.ClH/c11-8-4-3-7(6-9(8)12)14-10(15)2-1-5-13;/h3-4,6H,1-2,5,13H2,(H,14,15);1H
InChIKeyREHFADKVOBLJEU-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.59
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-amino-N-(4-chloro-3-nitrophenyl)butanamide
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4-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]butanamide;hydrochloride
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5-(6-aminohexanoylamino)-2-chlorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride (CID 119262031) is 4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride is Cl.NCCCC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride?
The InChIKey is REHFADKVOBLJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O.ClH/c11-8-4-3-7(6-9(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-(3,4-dichlorophenyl)butanamide;hydrochloride?
4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride has a molecular weight of 283.59 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride is sourced from PubChem (CID 119262031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).